2-azanyl-4-(4-hydroxyphenyl)-3-nitro-4-oxidanyl-1-phenyl-hexan-1-one hydrochloride

Systemtic Name: 2-azanyl-4-(4-hydroxyphenyl)-3-nitro-4-oxidanyl-1-phenyl-hexan-1-one hydrochloride Openeye Name: 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-nitro-1-phenyl-hexan-1-one hydrochloride CAS Name: 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-nitro-1-phenyl-1-hexanone hydrochloride IUPAC Name: 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-nitro-1-phenylhexan-1-one hydrochloride Traditional Name: 2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-nitro-1-phenyl-hexan-1-one hydrochloride Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5.ClH/c1-2-18(23,13-8-10-14(21)11-9-13)17(20(24)25)15(19)16(22)12-6-4-3-5-7-12;/h3-11,15,17,21,23H,2,19H2,1H3;1H