N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]-piperonylamide Formula: C13H12N6O5 MolecularWeight: 332.27158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O5/c1-8(5-18-6-14-13(17-18)19(21)22)15-16-12(20)9-2-3-10-11(4-9)24-7-23-10/h2-4,6H,5,7H2,1H3,(H,16,20)/b15-8+