2-methyl-3-[(5-nitro-2-oxidanyl-phenyl)amino]phenol hydrochloride

Systemtic Name: 2-methyl-3-[(5-nitro-2-oxidanyl-phenyl)amino]phenol hydrochloride Openeye Name: 3-(2-hydroxy-5-nitro-anilino)-2-methyl-phenol hydrochloride CAS Name: 3-(2-hydroxy-5-nitroanilino)-2-methylphenol hydrochloride IUPAC Name: 3-(2-hydroxy-5-nitroanilino)-2-methylphenol hydrochloride Traditional Name: 3-(2-hydroxy-5-nitro-anilino)-2-methyl-phenol hydrochloride Formula: C13H13ClN2O4 MolecularWeight: 296.70632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)NC2=C(C=CC(=C2)[N+](=O)[O-])O.Cl

Isomeric SMILES

CC1=C(C=CC=C1O)NC2=C(C=CC(=C2)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C13H12N2O4.ClH/c1-8-10(3-2-4-12(8)16)14-11-7-9(15(18)19)5-6-13(11)17;/h2-7,14,16-17H,1H3;1H