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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-methyl-2-(4-methyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (3-oxocyclohexen-1-yl) 4-methyl-2-(4-methyl-5-oxo-tetrazol-1-yl)benzoate CAS Name: 4-methyl-2-(4-methyl-5-oxo-1-tetrazolyl)benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 4-methyl-2-(4-methyl-5-oxotetrazol-1-yl)benzoate Traditional Name: 2-(5-keto-4-methyl-tetrazol-1-yl)-4-methyl-benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC2=CC(=O)CCC2)N3C(=O)N(N=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC2=CC(=O)CCC2)N3C(=O)N(N=N3)C

InChI

InChI=1S/C16H16N4O4/c1-10-6-7-13(14(8-10)20-16(23)19(2)17-18-20)15(22)24-12-5-3-4-11(21)9-12/h6-9H,3-5H2,1-2H3