[2-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenoxy)ethanoate

Systemtic Name: [2-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenoxy)ethanoate Openeye Name: [2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxo-ethyl] 2-(3,4-dimethylphenoxy)acetate CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate Traditional Name: 2-(3,4-dimethylphenoxy)acetic acid [2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-keto-ethyl] ester Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C

InChI

InChI=1S/C20H19ClN4O4/c1-13-3-5-16(7-14(13)2)28-10-20(27)29-9-19(26)24-17-8-15(21)4-6-18(17)25-12-22-11-23-25/h3-8,11-12H,9-10H2,1-2H3,(H,24,26)