4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-oxidanyl-4H-naphthalen-1-imine oxide

Systemtic Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-oxidanyl-4H-naphthalen-1-imine oxide Openeye Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-hydroxy-4H-naphthalen-1-imine oxide CAS Name: 4-[1-benzotriazolyl-(4-chlorophenyl)-phenylmethyl]-N-hydroxy-4H-naphthalen-1-imine oxide IUPAC Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenylmethyl]-N-hydroxy-4H-naphthalen-1-imine oxide Traditional Name: 4-[benzotriazol-1-yl-(4-chlorophenyl)-phenyl-methyl]-N-hydroxy-4H-naphthalen-1-imine oxide Formula: C29H21ClN4O2 MolecularWeight: 492.95564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2C=CC(=[N+](O)[O-])C3=CC=CC=C23)(C4=CC=C(C=C4)Cl)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)C(C2C=C/C(=[N+](\O)/[O-])/C3=CC=CC=C23)(C4=CC=C(C=C4)Cl)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H21ClN4O2/c30-22-16-14-21(15-17-22)29(20-8-2-1-3-9-20,33-28-13-7-6-12-26(28)31-32-33)25-18-19-27(34(35)36)24-11-5-4-10-23(24)25/h1-19,25H,(H,35,36)