[4-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C24H16N4O7 MolecularWeight: 472.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])/C#N

InChI

InChI=1S/C24H16N4O7/c1-15-12-18(27(31)32)8-11-21(15)26-23(29)17(14-25)13-16-6-9-19(10-7-16)35-24(30)20-4-2-3-5-22(20)28(33)34/h2-13H,1H3,(H,26,29)/b17-13+