[2-(dimethylaminomethyl)cyclohexyl] 2-(4-chloranyl-3-nitro-phenyl)ethanoate

Systemtic Name: [2-(dimethylaminomethyl)cyclohexyl] 2-(4-chloranyl-3-nitro-phenyl)ethanoate Openeye Name: [2-(dimethylaminomethyl)cyclohexyl] 2-(4-chloro-3-nitro-phenyl)acetate CAS Name: 2-(4-chloro-3-nitrophenyl)acetic acid [2-(dimethylaminomethyl)cyclohexyl] ester IUPAC Name: [2-(dimethylaminomethyl)cyclohexyl] 2-(4-chloro-3-nitrophenyl)acetate Traditional Name: 2-(4-chloro-3-nitro-phenyl)acetic acid [2-(dimethylaminomethyl)cyclohexyl] ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1OC(=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1CCCCC1OC(=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H23ClN2O4/c1-19(2)11-13-5-3-4-6-16(13)24-17(21)10-12-7-8-14(18)15(9-12)20(22)23/h7-9,13,16H,3-6,10-11H2,1-2H3