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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-imine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-hydroxy-2-(3-methylphenyl)-5-nitro-4-triazolimine IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxy-2-(3-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-ylidene]amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2N=C(C(=NCCC3=CCCCC3)N2O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2N=C(C(=NCCC3=CCCCC3)N2O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-13-6-5-9-15(12-13)20-19-17(22(24)25)16(21(20)23)18-11-10-14-7-3-2-4-8-14/h5-7,9,12,23H,2-4,8,10-11H2,1H3