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

Systemtic Name: [4-[(E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxo-prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(4-nitroanilino)prop-1-enyl]phenyl] ester Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O6/c22-13-15(20(25)23-16-5-7-17(8-6-16)24(27)28)12-14-3-9-18(10-4-14)30-21(26)19-2-1-11-29-19/h1-12H,(H,23,25)/b15-12+