[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C16H19ClN2O5 MolecularWeight: 354.78546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O5/c1-10-2-5-12(6-3-10)18-15(20)9-24-16(21)13-8-11(17)4-7-14(13)19(22)23/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H,18,20)