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

Systemtic Name: [3-bromanyl-2-oxidanyl-5-(phenylmethyl)phenyl]methylidene-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: (5-benzyl-3-bromo-2-hydroxy-phenyl)methylene-[2-(4-nitroanilino)ethyl]ammonium CAS Name: [3-bromo-2-hydroxy-5-(phenylmethyl)phenyl]methylidene-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: (5-benzyl-3-bromo-2-hydroxyphenyl)methylidene-[2-(4-nitroanilino)ethyl]azanium Traditional Name: (5-benzyl-3-bromo-2-hydroxy-benzylidene)-[2-(4-nitroanilino)ethyl]ammonium Formula: C22H21BrN3O3+ MolecularWeight: 455.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=[NH+]CCNC3=CC=C(C=C3)[N+](=O)[O-])O)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=[NH+]CCNC3=CC=C(C=C3)[N+](=O)[O-])O)Br

InChI

InChI=1S/C22H20BrN3O3/c23-21-14-17(12-16-4-2-1-3-5-16)13-18(22(21)27)15-24-10-11-25-19-6-8-20(9-7-19)26(28)29/h1-9,13-15,25,27H,10-12H2/p+1