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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-nitro-2-[(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)methyl]benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-nitro-2-[(5-oxo-4-phenyl-tetrazol-1-yl)methyl]benzoate CAS Name: 4-nitro-2-[(5-oxo-4-phenyl-1-tetrazolyl)methyl]benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-nitro-2-[(5-oxo-4-phenyltetrazol-1-yl)methyl]benzoate Traditional Name: 2-[(5-keto-4-phenyl-tetrazol-1-yl)methyl]-4-nitro-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C21H17N5O6 MolecularWeight: 435.38958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O6/c27-17-7-4-8-18(12-17)32-20(28)19-10-9-16(26(30)31)11-14(19)13-24-21(29)25(23-22-24)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2