butyl 4-[5-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: butyl 4-[5-[(E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: butyl 4-[5-[(E)-2-cyano-3-(2-nitroanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-[(E)-2-cyano-3-(2-nitroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(2-nitroanilino)prop-1-enyl]-2-furyl]benzoic acid butyl ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O6/c1-2-3-14-33-25(30)18-10-8-17(9-11-18)23-13-12-20(34-23)15-19(16-26)24(29)27-21-6-4-5-7-22(21)28(31)32/h4-13,15H,2-3,14H2,1H3,(H,27,29)/b19-15+