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

Systemtic Name: 3-[(4-nitrophenyl)amino]propyl-[[2-oxidanyl-5-(phenylmethyl)phenyl]methylidene]azanium Openeye Name: (5-benzyl-2-hydroxy-phenyl)methylene-[3-(4-nitroanilino)propyl]ammonium CAS Name: [2-hydroxy-5-(phenylmethyl)phenyl]methylidene-[3-(4-nitroanilino)propyl]ammonium IUPAC Name: (5-benzyl-2-hydroxyphenyl)methylidene-[3-(4-nitroanilino)propyl]azanium Traditional Name: (5-benzyl-2-hydroxy-benzylidene)-[3-(4-nitroanilino)propyl]ammonium Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C=[NH+]CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C=[NH+]CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O3/c27-23-12-7-19(15-18-5-2-1-3-6-18)16-20(23)17-24-13-4-14-25-21-8-10-22(11-9-21)26(28)29/h1-3,5-12,16-17,25,27H,4,13-15H2/p+1