[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C16H19N3O4/c1-11(2)6-7-18-16(22)19-14(20)10-23-15(21)13-5-3-4-12(8-13)9-17/h3-5,8,11H,6-7,10H2,1-2H3,(H2,18,19,20,22)