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

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=C(C(=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-11-6-3-4-9-14(11)18-15(20)10-24-17(21)13-8-5-7-12(2)16(13)19(22)23/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3,(H,18,20)