Products 499999-52-9

CAS 499999-52-9 is the registry number for 2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid, 95%. Offered by: Combi-blocks. Available pack sizes: 1g, 5g.

2-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid, 95%
Combi-blocks
  • size: 1g, 5g
  • Variants: 2
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2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid (CAS 499999-52-9) is a chemical compound with the molecular formula C25H16N2O6 and a molecular weight of 440.4 g/mol. IUPAC name: 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid. InChIKey: OPDXPZMJGYBQNV-UHFFFAOYSA-N.

Identity
Molecular formulaC25H16N2O6
Molecular weight440.4 g/mol
IUPAC name2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-4-nitrobenzoic acid
InChIKeyOPDXPZMJGYBQNV-UHFFFAOYSA-N
SMILESC1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=C(C=CC(=C6)[N+](=O)[O-])C(=O)O

Computed by PubChem (NCBI)

Synonyms: Oprea1_658597, Oprea1_779722
Isomers (same molecular formula)
3-(1-nitro-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid C25H16N2O6