[1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-11-7-5-9-15(13(11)3)20-18(22)14(4)26-19(23)17-12(2)8-6-10-16(17)21(24)25/h6,8,10-11,13-15H,5,7,9H2,1-4H3,(H,20,22)