ethyl 4-[5-[(E)-2-cyano-3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-(2-methyl-5-nitro-anilino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(2-methyl-5-nitro-anilino)prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C24H19N3O6 MolecularWeight: 445.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H19N3O6/c1-3-32-24(29)17-7-5-16(6-8-17)22-11-10-20(33-22)12-18(14-25)23(28)26-21-13-19(27(30)31)9-4-15(21)2/h4-13H,3H2,1-2H3,(H,26,28)/b18-12+