[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-2-3-8-18-16(24)20-14(22)9-25-15(23)12-4-6-13(7-5-12)21-11-17-10-19-21/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,20,22,24)