N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine

Systemtic Name: N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-N-(3-methoxypropyl)-2-(m-tolyl)-5-nitro-triazol-4-imine CAS Name: 3-hydroxy-N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitro-4-triazolimine IUPAC Name: 3-hydroxy-N-(3-methoxypropyl)-2-(3-methylphenyl)-5-nitrotriazol-4-imine Traditional Name: [3-hydroxy-2-(m-tolyl)-5-nitro-triazol-4-ylidene]-(3-methoxypropyl)amine Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O4/c1-10-5-3-6-11(9-10)16-15-13(18(20)21)12(17(16)19)14-7-4-8-22-2/h3,5-6,9,19H,4,7-8H2,1-2H3