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

Systemtic Name: 3,5-dimethoxy-N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]benzamide Openeye Name: 3,5-dimethoxy-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]benzamide CAS Name: 3,5-dimethoxy-N-[(E)-1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]benzamide IUPAC Name: 3,5-dimethoxy-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide Traditional Name: 3,5-dimethoxy-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]benzamide Formula: C13H15N7O5 MolecularWeight: 349.3021

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC(=C1)OC)OC)CN2N=C(N=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=CC(=C1)OC)OC)/CN2N=C(N=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N7O5/c1-8(7-19-17-13(16-18-19)20(22)23)14-15-12(21)9-4-10(24-2)6-11(5-9)25-3/h4-6H,7H2,1-3H3,(H,15,21)/b14-8+