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

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-[[2-oxidanyl-5-(phenylmethyl)phenyl]methylidene]azanium Openeye Name: (5-benzyl-2-hydroxy-phenyl)methylene-[2-(2-chloro-4-nitro-anilino)ethyl]ammonium CAS Name: 2-(2-chloro-4-nitroanilino)ethyl-[[2-hydroxy-5-(phenylmethyl)phenyl]methylidene]ammonium IUPAC Name: (5-benzyl-2-hydroxyphenyl)methylidene-[2-(2-chloro-4-nitroanilino)ethyl]azanium Traditional Name: (5-benzyl-2-hydroxy-benzylidene)-[2-(2-chloro-4-nitro-anilino)ethyl]ammonium Formula: C22H21ClN3O3+ MolecularWeight: 410.87344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3/c23-20-14-19(26(28)29)7-8-21(20)25-11-10-24-15-18-13-17(6-9-22(18)27)12-16-4-2-1-3-5-16/h1-9,13-15,25,27H,10-12H2/p+1