3-pyridin-2-ylpropyl 4-nitrobenzoate hydrochloride

Systemtic Name: 3-pyridin-2-ylpropyl 4-nitrobenzoate hydrochloride Openeye Name: 3-(2-pyridyl)propyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 3-(2-pyridinyl)propyl ester hydrochloride IUPAC Name: 3-pyridin-2-ylpropyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 3-(2-pyridyl)propyl ester hydrochloride Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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