[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-[[(1R,2S)-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=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-11-5-3-4-6-14(11)18-16(20)10-24-17(21)13-8-7-12(2)15(9-13)19(22)23/h7-9,11,14H,3-6,10H2,1-2H3,(H,18,20)/t11-,14+/m0/s1