(4-tert-butylcyclohexyl) 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-tert-butylcyclohexyl) 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-tert-butylcyclohexyl) 4-(4-nitroanilino)-4-oxo-butanoate CAS Name: 4-(4-nitroanilino)-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 4-(4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitroanilino)butyric acid (4-tert-butylcyclohexyl) ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O5/c1-20(2,3)14-4-10-17(11-5-14)27-19(24)13-12-18(23)21-15-6-8-16(9-7-15)22(25)26/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,21,23)