[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-11-6-2-4-8-13(11)17-15(19)10-23-16(20)12-7-3-5-9-14(12)18(21)22/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,19)/t11-,13+/m1/s1