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

Systemtic Name: (5-iodanyl-3-methyl-2-oxidanyl-phenyl)methylidene-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: (2-hydroxy-5-iodo-3-methyl-phenyl)methylene-[2-(4-nitroanilino)ethyl]ammonium CAS Name: (2-hydroxy-5-iodo-3-methylphenyl)methylidene-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: (2-hydroxy-5-iodo-3-methylphenyl)methylidene-[2-(4-nitroanilino)ethyl]azanium Traditional Name: (2-hydroxy-5-iodo-3-methyl-benzylidene)-[2-(4-nitroanilino)ethyl]ammonium Formula: C16H17IN3O3+ MolecularWeight: 426.22895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16IN3O3/c1-11-8-13(17)9-12(16(11)21)10-18-6-7-19-14-2-4-15(5-3-14)20(22)23/h2-5,8-10,19,21H,6-7H2,1H3/p+1