[3-(nitrooxymethyl)phenyl] 2-[1-(aminomethyl)cyclohexyl]ethanoate

Systemtic Name: [3-(nitrooxymethyl)phenyl] 2-[1-(aminomethyl)cyclohexyl]ethanoate Openeye Name: [3-(nitrooxymethyl)phenyl] 2-[1-(aminomethyl)cyclohexyl]acetate CAS Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] 2-[1-(aminomethyl)cyclohexyl]acetate Traditional Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid [3-(nitrooxymethyl)phenyl] ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])CN

Isomeric SMILES

C1CCC(CC1)(CC(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-])CN

InChI

InChI=1S/C16H22N2O5/c17-12-16(7-2-1-3-8-16)10-15(19)23-14-6-4-5-13(9-14)11-22-18(20)21/h4-6,9H,1-3,7-8,10-12,17H2