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

Systemtic Name: ethyl 4-[5-[(E)-3-[(2-bromanyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C23H16BrN3O6 MolecularWeight: 510.29364

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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=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrN3O6/c1-2-32-23(29)15-5-3-14(4-6-15)21-10-8-18(33-21)11-16(13-25)22(28)26-20-9-7-17(27(30)31)12-19(20)24/h3-12H,2H2,1H3,(H,26,28)/b16-11+