3,4,5-trimethoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide Formula: C12H13N5O6 MolecularWeight: 323.26152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=NC=NN2)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=NC=NN2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C12H13N5O6/c1-21-7-4-6(11(18)15-12-13-5-14-16-12)8(17(19)20)10(23-3)9(7)22-2/h4-5H,1-3H3,(H2,13,14,15,16,18)