2-piperidin-1-ylethyl 3,5-dinitrobenzoate hydrochloride

Systemtic Name: 2-piperidin-1-ylethyl 3,5-dinitrobenzoate hydrochloride Openeye Name: 2-(1-piperidyl)ethyl 3,5-dinitrobenzoate hydrochloride CAS Name: 3,5-dinitrobenzoic acid 2-(1-piperidinyl)ethyl ester hydrochloride IUPAC Name: 2-piperidin-1-ylethyl 3,5-dinitrobenzoate hydrochloride Traditional Name: 3,5-dinitrobenzoic acid 2-piperidinoethyl ester hydrochloride Formula: C14H18ClN3O6 MolecularWeight: 359.76222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(CC1)CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C14H17N3O6.ClH/c18-14(23-7-6-15-4-2-1-3-5-15)11-8-12(16(19)20)10-13(9-11)17(21)22;/h8-10H,1-7H2;1H