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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H22N2O6/c1-14(22(27)23-18-7-9-19(10-8-18)24(28)29)30-21(26)12-11-20(25)17-6-5-15-3-2-4-16(15)13-17/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,27)