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

Systemtic Name: ethyl 2-[3-methyl-5-oxidanylidene-4-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(benzylamino)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-methyl-5-oxo-4-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzylamino)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[4-(benzylamino)-5-keto-3-methyl-1,2,4-triazol-1-yl]acetic acid ethyl ester Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)N(C(=N1)C)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1C(=O)N(C(=N1)C)NCC2=CC=CC=C2

InChI

InChI=1S/C14H18N4O3/c1-3-21-13(19)10-17-14(20)18(11(2)16-17)15-9-12-7-5-4-6-8-12/h4-8,15H,3,9-10H2,1-2H3