Products 2987884-27-3

CAS 2987884-27-3 is the registry number for COMT-IN-1. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]prop-2-enamide (CAS 2987884-27-3) is a chemical compound with the molecular formula C24H18FN3O6 and a molecular weight of 463.4 g/mol. IUPAC name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]prop-2-enamide. InChIKey: XAPJLOSBUMRSAQ-QGMBQPNBSA-N.

Identity
Molecular formulaC24H18FN3O6
Molecular weight463.4 g/mol
IUPAC name(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]prop-2-enamide
InChIKeyXAPJLOSBUMRSAQ-QGMBQPNBSA-N
SMILESC1=CC(=CC(=C1)F)COC2=CC=C(C=C2)CNC(=O)/C(=C/C3=CC(=C(C(=C3)O)O)[N+](=O)[O-])/C#N

Computed by PubChem (NCBI)

Synonyms: orb2664417