[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-11-6-8-12(9-7-11)17-15(19)10-23-16(20)13-4-2-3-5-14(13)18(21)22/h2-5,11-12H,6-10H2,1H3,(H,17,19)