[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)Cl

InChI

InChI=1S/C18H14ClN3O4/c1-25-17-7-4-13(8-15(17)19)16(23)9-26-18(24)12-2-5-14(6-3-12)22-11-20-10-21-22/h2-8,10-11H,9H2,1H3