[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C16H20N4O3/c1-3-13(4-2)19-15(21)9-23-16(22)12-5-7-14(8-6-12)20-11-17-10-18-20/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,19,21)