2-(pyridin-3-ylcarbonylamino)ethyl 4-nitrobenzoate hydrochloride

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl 4-nitrobenzoate hydrochloride Openeye Name: 2-(pyridine-3-carbonylamino)ethyl 4-nitrobenzoate hydrochloride CAS Name: 4-nitrobenzoic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester hydrochloride IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl 4-nitrobenzoate hydrochloride Traditional Name: 4-nitrobenzoic acid 2-nicotinamidoethyl ester hydrochloride Formula: C15H14ClN3O5 MolecularWeight: 351.74176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5.ClH/c19-14(12-2-1-7-16-10-12)17-8-9-23-15(20)11-3-5-13(6-4-11)18(21)22;/h1-7,10H,8-9H2,(H,17,19);1H