[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c24-19(16-8-7-14-3-1-4-15(14)11-16)9-10-21(26)29-13-20(25)22-17-5-2-6-18(12-17)23(27)28/h2,5-8,11-12H,1,3-4,9-10,13H2,(H,22,25)