[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O5/c1-11-6-5-9-15(13(11)3)19-16(21)10-25-18(22)14-8-4-7-12(2)17(14)20(23)24/h4,7-8,11,13,15H,5-6,9-10H2,1-3H3,(H,19,21)