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

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[(3-cyano-4,5-diphenyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C26H18N4O6 MolecularWeight: 482.44432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N4O6/c27-14-19-23(16-7-3-1-4-8-16)24(17-9-5-2-6-10-17)36-25(19)29-22(31)15-35-26(32)18-11-12-20(28)21(13-18)30(33)34/h1-13H,15,28H2,(H,29,31)