ethyl 2-[4-azanyl-3-(4-chlorophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-azanyl-3-(4-chlorophenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-amino-3-(4-chlorophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[4-amino-3-(4-chlorophenyl)-5-oxo-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-3-(4-chlorophenyl)-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-amino-3-(4-chlorophenyl)-5-keto-1,2,4-triazol-1-yl]acetic acid ethyl ester Formula: C12H13ClN4O3 MolecularWeight: 296.70962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C(=N1)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C(=N1)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C12H13ClN4O3/c1-2-20-10(18)7-16-12(19)17(14)11(15-16)8-3-5-9(13)6-4-8/h3-6H,2,7,14H2,1H3