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

Systemtic Name: 2-(4-chlorophenyl)-N-(3-methoxypropyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-N-(3-methoxypropyl)-5-nitro-triazol-4-imine CAS Name: 2-(4-chlorophenyl)-3-hydroxy-N-(3-methoxypropyl)-5-nitro-4-triazolimine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-N-(3-methoxypropyl)-5-nitrotriazol-4-imine Traditional Name: [2-(4-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3-methoxypropyl)amine Formula: C12H14ClN5O4 MolecularWeight: 327.72366

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=C1C(=NN(N1O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COCCCN=C1C(=NN(N1O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClN5O4/c1-22-8-2-7-14-11-12(18(20)21)15-16(17(11)19)10-5-3-9(13)4-6-10/h3-6,19H,2,7-8H2,1H3