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

Systemtic Name: ethyl 2-[4-azanyl-3-[(4-chlorophenyl)methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-amino-3-(4-chlorobenzyl)-5-keto-1,2,4-triazol-1-yl]acetic acid ethyl ester Formula: C13H15ClN4O3 MolecularWeight: 310.7362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C13H15ClN4O3/c1-2-21-12(19)8-17-13(20)18(15)11(16-17)7-9-3-5-10(14)6-4-9/h3-6H,2,7-8,15H2,1H3