(3-oxidanylidenecyclohexen-1-yl) 4-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-2-nitro-benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)-2-nitro-benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-(4-methyl-5-oxo-tetrazol-1-yl)-2-nitro-benzoate CAS Name: 4-(4-methyl-5-oxo-1-tetrazolyl)-2-nitrobenzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-(4-methyl-5-oxotetrazol-1-yl)-2-nitrobenzoate Traditional Name: 4-(5-keto-4-methyl-tetrazol-1-yl)-2-nitro-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C15H13N5O6 MolecularWeight: 359.29362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(N=N1)C2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)N(N=N1)C2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O6/c1-18-15(23)19(17-16-18)9-5-6-12(13(7-9)20(24)25)14(22)26-11-4-2-3-10(21)8-11/h5-8H,2-4H2,1H3