[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C13H14ClN3O4/c1-7(11(18)17-13(20)16-9-2-3-9)21-12(19)8-4-5-15-10(14)6-8/h4-7,9H,2-3H2,1H3,(H2,16,17,18,20)