2-(5-ethyl-2-methyl-piperidin-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(5-ethyl-2-methyl-piperidin-1-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(5-ethyl-2-methyl-1-piperidyl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(5-ethyl-2-methyl-1-piperidinyl)ethyl ester IUPAC Name: 2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(5-ethyl-2-methyl-piperidino)ethyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N(C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1CCC(N(C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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