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

Systemtic Name: 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine Openeye Name: 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-3-hydroxy-5-nitro-triazol-4-imine CAS Name: 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-3-hydroxy-5-nitro-4-triazolimine IUPAC Name: 2-(4-chlorophenyl)-N-(3-ethoxypropyl)-3-hydroxy-5-nitrotriazol-4-imine Traditional Name: [2-(4-chlorophenyl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3-ethoxypropyl)amine Formula: C13H16ClN5O4 MolecularWeight: 341.75024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN5O4/c1-2-23-9-3-8-15-12-13(19(21)22)16-17(18(12)20)11-6-4-10(14)5-7-11/h4-7,20H,2-3,8-9H2,1H3