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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N(N=N1)CC2=CC=CC=C2C(=O)OC3=CC(=O)CCC3

Isomeric SMILES

CN1C(=O)N(N=N1)CC2=CC=CC=C2C(=O)OC3=CC(=O)CCC3

InChI

InChI=1S/C16H16N4O4/c1-19-16(23)20(18-17-19)10-11-5-2-3-8-14(11)15(22)24-13-7-4-6-12(21)9-13/h2-3,5,8-9H,4,6-7,10H2,1H3