N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-imine CAS Name: N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-2-(3-methylphenyl)-5-nitro-4-triazolimine IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-2-(3-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: 2-(4-chlorophenyl)ethyl-[3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-ylidene]amine Formula: C17H16ClN5O3 MolecularWeight: 373.79364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2N=C(C(=NCCC3=CC=C(C=C3)Cl)N2O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2N=C(C(=NCCC3=CC=C(C=C3)Cl)N2O)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O3/c1-12-3-2-4-15(11-12)21-20-17(23(25)26)16(22(21)24)19-10-9-13-5-7-14(18)8-6-13/h2-8,11,24H,9-10H2,1H3