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

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-chloranyl-4-(5-oxidanylidene-4-propan-2-yl-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-chloro-4-(4-isopropyl-5-oxo-tetrazol-1-yl)benzoate CAS Name: 2-chloro-4-(5-oxo-4-propan-2-yl-1-tetrazolyl)benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-chloro-4-(5-oxo-4-propan-2-yltetrazol-1-yl)benzoate Traditional Name: 2-chloro-4-(4-isopropyl-5-keto-tetrazol-1-yl)benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C17H17ClN4O4 MolecularWeight: 376.79428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)N(N=N1)C2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)Cl

Isomeric SMILES

CC(C)N1C(=O)N(N=N1)C2=CC(=C(C=C2)C(=O)OC3=CC(=O)CCC3)Cl

InChI

InChI=1S/C17H17ClN4O4/c1-10(2)21-17(25)22(20-19-21)11-6-7-14(15(18)8-11)16(24)26-13-5-3-4-12(23)9-13/h6-10H,3-5H2,1-2H3