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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-methyl-4-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-methyl-4-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic 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] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(2-methyl-4-nitro-anilino)prop-1-enyl]phenyl] ester Formula: C22H15N3O6 MolecularWeight: 417.371

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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=CO3)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=CO3)/C#N

InChI

InChI=1S/C22H15N3O6/c1-14-11-17(25(28)29)6-9-19(14)24-21(26)16(13-23)12-15-4-7-18(8-5-15)31-22(27)20-3-2-10-30-20/h2-12H,1H3,(H,24,26)/b16-12+