[1-(dimethylaminomethyl)cyclohexyl]methyl 4-nitrobenzoate

Systemtic Name: [1-(dimethylaminomethyl)cyclohexyl]methyl 4-nitrobenzoate Openeye Name: [1-(dimethylaminomethyl)cyclohexyl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(dimethylaminomethyl)cyclohexyl]methyl ester IUPAC Name: [1-(dimethylaminomethyl)cyclohexyl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(dimethylaminomethyl)cyclohexyl]methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(CCCCC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1(CCCCC1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-18(2)12-17(10-4-3-5-11-17)13-23-16(20)14-6-8-15(9-7-14)19(21)22/h6-9H,3-5,10-13H2,1-2H3