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

Systemtic Name: methyl 4-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(2-methyl-4-nitroanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]benzoic acid methyl ester Formula: C19H15N3O5 MolecularWeight: 365.3395

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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)C(=O)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O5/c1-12-9-16(22(25)26)7-8-17(12)21-18(23)15(11-20)10-13-3-5-14(6-4-13)19(24)27-2/h3-10H,1-2H3,(H,21,23)/b15-10+