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

Systemtic Name: 2-[(4-nitrophenyl)amino]ethyl-[[2-oxidanyl-5-(phenylmethyl)phenyl]methylidene]azanium Openeye Name: (5-benzyl-2-hydroxy-phenyl)methylene-[2-(4-nitroanilino)ethyl]ammonium CAS Name: [2-hydroxy-5-(phenylmethyl)phenyl]methylidene-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: (5-benzyl-2-hydroxyphenyl)methylidene-[2-(4-nitroanilino)ethyl]azanium Traditional Name: (5-benzyl-2-hydroxy-benzylidene)-[2-(4-nitroanilino)ethyl]ammonium Formula: C22H22N3O3+ MolecularWeight: 376.42838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c26-22-11-6-18(14-17-4-2-1-3-5-17)15-19(22)16-23-12-13-24-20-7-9-21(10-8-20)25(27)28/h1-11,15-16,24,26H,12-14H2/p+1