1-[(4-methoxyphenyl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride

Systemtic Name: 1-[(4-methoxyphenyl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride Openeye Name: 1-(4-methoxyanilino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride CAS Name: 1-(4-methoxyanilino)-3-(2-nitro-1-imidazolyl)-2-propanol hydrochloride IUPAC Name: 1-(4-methoxyanilino)-3-(2-nitroimidazol-1-yl)propan-2-ol hydrochloride Traditional Name: 1-(2-nitroimidazol-1-yl)-3-(p-anisidino)propan-2-ol hydrochloride Formula: C13H17ClN4O4 MolecularWeight: 328.75148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCC(CN2C=CN=C2[N+](=O)[O-])O.Cl

Isomeric SMILES

COC1=CC=C(C=C1)NCC(CN2C=CN=C2[N+](=O)[O-])O.Cl

InChI

InChI=1S/C13H16N4O4.ClH/c1-21-12-4-2-10(3-5-12)15-8-11(18)9-16-7-6-14-13(16)17(19)20;/h2-7,11,15,18H,8-9H2,1H3;1H