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

Systemtic Name: (2-ethylpyrazol-3-yl) 2-chloranyl-4-[(4-cyclopropyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)methyl]benzoate Openeye Name: (2-ethylpyrazol-3-yl) 2-chloro-4-[(4-cyclopropyl-5-oxo-tetrazol-1-yl)methyl]benzoate CAS Name: 2-chloro-4-[(4-cyclopropyl-5-oxo-1-tetrazolyl)methyl]benzoic acid (2-ethyl-3-pyrazolyl) ester IUPAC Name: (2-ethylpyrazol-3-yl) 2-chloro-4-[(4-cyclopropyl-5-oxotetrazol-1-yl)methyl]benzoate Traditional Name: 2-chloro-4-[(4-cyclopropyl-5-keto-tetrazol-1-yl)methyl]benzoic acid (2-ethylpyrazol-3-yl) ester Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)CN3C(=O)N(N=N3)C4CC4)Cl

Isomeric SMILES

CCN1C(=CC=N1)OC(=O)C2=C(C=C(C=C2)CN3C(=O)N(N=N3)C4CC4)Cl

InChI

InChI=1S/C17H17ClN6O3/c1-2-22-15(7-8-19-22)27-16(25)13-6-3-11(9-14(13)18)10-23-17(26)24(21-20-23)12-4-5-12/h3,6-9,12H,2,4-5,10H2,1H3