5-chloranyl-2-methoxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Openeye Name: 5-chloro-2-methoxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide CAS Name: 5-chloro-2-methoxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide Traditional Name: 5-chloro-2-methoxy-N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide Formula: C13H13ClN6O4 MolecularWeight: 352.73312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C=CC(=C1)Cl)OC)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C=CC(=C1)Cl)OC)/CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN6O4/c1-8(6-19-7-15-13(18-19)20(22)23)16-17-12(21)10-5-9(14)3-4-11(10)24-2/h3-5,7H,6H2,1-2H3,(H,17,21)/b16-8+