[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-keto-ethyl] ester Formula: C28H22N4O8 MolecularWeight: 542.49628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H22N4O8/c1-37-19-8-3-16(4-9-19)25-21(14-29)27(40-26(25)17-5-10-20(38-2)11-6-17)31-24(33)15-39-28(34)18-7-12-22(30)23(13-18)32(35)36/h3-13H,15,30H2,1-2H3,(H,31,33)