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

Systemtic Name: 3-methoxy-N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]-4-oxidanyl-benzamide Openeye Name: 4-hydroxy-3-methoxy-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]benzamide CAS Name: 4-hydroxy-3-methoxy-N-[(E)-1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]benzamide IUPAC Name: 4-hydroxy-3-methoxy-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide Traditional Name: 4-hydroxy-3-methoxy-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]benzamide Formula: C12H13N7O5 MolecularWeight: 335.27552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N7O5/c1-7(6-18-16-12(15-17-18)19(22)23)13-14-11(21)8-3-4-9(20)10(5-8)24-2/h3-5,20H,6H2,1-2H3,(H,14,21)/b13-7+