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

Systemtic Name: N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]-piperonylamide Formula: C12H11N7O5 MolecularWeight: 333.25964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)CN3N=C(N=N3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/CN3N=C(N=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N7O5/c1-7(5-18-16-12(15-17-18)19(21)22)13-14-11(20)8-2-3-9-10(4-8)24-6-23-9/h2-4H,5-6H2,1H3,(H,14,20)/b13-7+