[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-22(2,3)16-9-7-15(8-10-16)19(25)11-12-21(27)30-14-20(26)23-17-5-4-6-18(13-17)24(28)29/h4-10,13H,11-12,14H2,1-3H3,(H,23,26)