(3-bromanyl-5-methyl-2-oxidanyl-phenyl)methylidene-[2-[(4-nitrophenyl)amino]ethyl]azanium

Systemtic Name: (3-bromanyl-5-methyl-2-oxidanyl-phenyl)methylidene-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: (3-bromo-2-hydroxy-5-methyl-phenyl)methylene-[2-(4-nitroanilino)ethyl]ammonium CAS Name: (3-bromo-2-hydroxy-5-methylphenyl)methylidene-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: (3-bromo-2-hydroxy-5-methylphenyl)methylidene-[2-(4-nitroanilino)ethyl]azanium Traditional Name: (3-bromo-2-hydroxy-5-methyl-benzylidene)-[2-(4-nitroanilino)ethyl]ammonium Formula: C16H17BrN3O3+ MolecularWeight: 379.22848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=[NH+]CCNC2=CC=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C=[NH+]CCNC2=CC=C(C=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C16H16BrN3O3/c1-11-8-12(16(21)15(17)9-11)10-18-6-7-19-13-2-4-14(5-3-13)20(22)23/h2-5,8-10,19,21H,6-7H2,1H3/p+1