3-piperidin-1-ylpentyl 4-nitrobenzoate

Systemtic Name: 3-piperidin-1-ylpentyl 4-nitrobenzoate Openeye Name: 3-(1-piperidyl)pentyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-(1-piperidinyl)pentyl ester IUPAC Name: 3-piperidin-1-ylpentyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 3-piperidinopentyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2CCCCC2

Isomeric SMILES

CCC(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2CCCCC2

InChI

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