[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[[(1R)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H17N3O4/c1-3-10(2)17-15(21)18-13(19)9-22-14(20)12-6-4-11(8-16)5-7-12/h4-7,10H,3,9H2,1-2H3,(H2,17,18,19,21)/t10-/m1/s1