[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCC(CC2)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C20H28N2O5/c1-13(18(23)21-16-6-5-7-17(12-16)22(25)26)27-19(24)14-8-10-15(11-9-14)20(2,3)4/h5-7,12-15H,8-11H2,1-4H3,(H,21,23)