[2-bromanyl-4-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] benzoate

Systemtic Name: [2-bromanyl-4-[(E)-2-cyano-3-[(4-nitro-2-oxidanyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] benzoate Openeye Name: [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] benzoate CAS Name: benzoic acid [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitroanilino)-3-oxoprop-1-enyl]-6-ethoxyphenyl] benzoate Traditional Name: benzoic acid [2-bromo-4-[(E)-2-cyano-3-(2-hydroxy-4-nitro-anilino)-3-keto-prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C25H18BrN3O7 MolecularWeight: 552.33032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H18BrN3O7/c1-2-35-22-12-15(11-19(26)23(22)36-25(32)16-6-4-3-5-7-16)10-17(14-27)24(31)28-20-9-8-18(29(33)34)13-21(20)30/h3-13,30H,2H2,1H3,(H,28,31)/b17-10+