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

Systemtic Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-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-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[3-cyano-4,5-bis(4-methoxyphenyl)-2-furyl]amino]-2-keto-ethyl] ester Formula: C28H21N3O8 MolecularWeight: 527.48164

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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+](=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+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H21N3O8/c1-36-21-11-5-17(6-12-21)25-23(15-29)27(39-26(25)18-7-13-22(37-2)14-8-18)30-24(32)16-38-28(33)19-3-9-20(10-4-19)31(34)35/h3-14H,16H2,1-2H3,(H,30,32)