4-azanyl-2-[[(5-nitro-2-oxidanyl-phenyl)amino]methyl]phenol hydrochloride

Systemtic Name: 4-azanyl-2-[[(5-nitro-2-oxidanyl-phenyl)amino]methyl]phenol hydrochloride Openeye Name: 4-amino-2-[(2-hydroxy-5-nitro-anilino)methyl]phenol hydrochloride CAS Name: 4-amino-2-[(2-hydroxy-5-nitroanilino)methyl]phenol hydrochloride IUPAC Name: 4-amino-2-[(2-hydroxy-5-nitroanilino)methyl]phenol hydrochloride Traditional Name: 4-amino-2-[(2-hydroxy-5-nitro-anilino)methyl]phenol hydrochloride Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)CNC2=C(C=CC(=C2)[N+](=O)[O-])O)O.Cl

Isomeric SMILES

C1=CC(=C(C=C1N)CNC2=C(C=CC(=C2)[N+](=O)[O-])O)O.Cl

InChI

InChI=1S/C13H13N3O4.ClH/c14-9-1-3-12(17)8(5-9)7-15-11-6-10(16(19)20)2-4-13(11)18;/h1-6,15,17-18H,7,14H2;1H