ethyl 4-(5-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-3-chloranyl-benzoate

Systemtic Name: ethyl 4-(5-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-3-chloranyl-benzoate Openeye Name: ethyl 4-(5-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-3-chloro-benzoate CAS Name: 4-(5-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-(5-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-3-chlorobenzoate Traditional Name: 4-(5-butyl-3-keto-1H-1,2,4-triazol-2-yl)-3-chloro-benzoic acid ethyl ester Formula: C15H18ClN3O3 MolecularWeight: 323.77472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)N(N1)C2=C(C=C(C=C2)C(=O)OCC)Cl

Isomeric SMILES

CCCCC1=NC(=O)N(N1)C2=C(C=C(C=C2)C(=O)OCC)Cl

InChI

InChI=1S/C15H18ClN3O3/c1-3-5-6-13-17-15(21)19(18-13)12-8-7-10(9-11(12)16)14(20)22-4-2/h7-9H,3-6H2,1-2H3,(H,17,18,21)