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

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C26H17N3O6 MolecularWeight: 467.42968

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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(=CC=C3)[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(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H17N3O6/c27-15-21-23(17-8-3-1-4-9-17)24(18-10-5-2-6-11-18)35-25(21)28-22(30)16-34-26(31)19-12-7-13-20(14-19)29(32)33/h1-14H,16H2,(H,28,30)