3-pyridin-3-ylpropyl 4-nitrobenzoate hydrochloride

Systemtic Name: 3-pyridin-3-ylpropyl 4-nitrobenzoate hydrochloride Openeye Name: 3-(3-pyridyl)propyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 3-(3-pyridinyl)propyl ester hydrochloride IUPAC Name: 3-pyridin-3-ylpropyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 3-(3-pyridyl)propyl ester hydrochloride Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC(=CN=C1)CCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H14N2O4.ClH/c18-15(13-5-7-14(8-6-13)17(19)20)21-10-2-4-12-3-1-9-16-11-12;/h1,3,5-9,11H,2,4,10H2;1H