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

Systemtic Name: 2-(3-methylphenyl)-5-nitro-3-oxidanyl-N-[1-(phenylmethyl)piperidin-4-yl]-1,2,3-triazol-4-imine Openeye Name: N-(1-benzyl-4-piperidyl)-3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-imine CAS Name: 3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-hydroxy-2-(3-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: (1-benzyl-4-piperidyl)-[3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-ylidene]amine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2N=C(C(=NC3CCN(CC3)CC4=CC=CC=C4)N2O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2N=C(C(=NC3CCN(CC3)CC4=CC=CC=C4)N2O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c1-16-6-5-9-19(14-16)25-23-21(27(29)30)20(26(25)28)22-18-10-12-24(13-11-18)15-17-7-3-2-4-8-17/h2-9,14,18,28H,10-13,15H2,1H3