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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCN=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CCN=C2C(=NN(N2O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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