[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC1NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H13N3O4/c15-7-9-1-3-10(4-2-9)13(19)21-8-12(18)17-14(20)16-11-5-6-11/h1-4,11H,5-6,8H2,(H2,16,17,18,20)