N-[[5-(azetidin-2-ylmethoxy)-2-chloranyl-pyridin-3-yl]methyl]-3-nitro-aniline dihydrochloride

Systemtic Name: N-[[5-(azetidin-2-ylmethoxy)-2-chloranyl-pyridin-3-yl]methyl]-3-nitro-aniline dihydrochloride Openeye Name: N-[[5-(azetidin-2-ylmethoxy)-2-chloro-3-pyridyl]methyl]-3-nitro-aniline dihydrochloride CAS Name: N-[[5-(2-azetidinylmethoxy)-2-chloro-3-pyridinyl]methyl]-3-nitroaniline dihydrochloride IUPAC Name: N-[[5-(azetidin-2-ylmethoxy)-2-chloropyridin-3-yl]methyl]-3-nitroaniline dihydrochloride Traditional Name: [5-(azetidin-2-ylmethoxy)-2-chloro-3-pyridyl]methyl-(3-nitrophenyl)amine dihydrochloride Formula: C16H19Cl3N4O3 MolecularWeight: 421.70606

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC1COC2=CN=C(C(=C2)CNC3=CC(=CC=C3)[N+](=O)[O-])Cl.Cl.Cl

Isomeric SMILES

C1CNC1COC2=CN=C(C(=C2)CNC3=CC(=CC=C3)[N+](=O)[O-])Cl.Cl.Cl

InChI

InChI=1S/C16H17ClN4O3.2ClH/c17-16-11(6-15(9-20-16)24-10-13-4-5-18-13)8-19-12-2-1-3-14(7-12)21(22)23;;/h1-3,6-7,9,13,18-19H,4-5,8,10H2;2*1H