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

Systemtic Name: 5-chloranyl-2-methoxy-N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]benzamide Openeye Name: 5-chloro-2-methoxy-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]benzamide CAS Name: 5-chloro-2-methoxy-N-[(E)-1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]benzamide IUPAC Name: 5-chloro-2-methoxy-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide Traditional Name: 5-chloro-2-methoxy-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]benzamide Formula: C12H12ClN7O4 MolecularWeight: 353.72118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN7O4/c1-7(6-19-17-12(16-18-19)20(22)23)14-15-11(21)9-5-8(13)3-4-10(9)24-2/h3-5H,6H2,1-2H3,(H,15,21)/b14-7+