[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-(2-methoxyethylcarbamoylamino)ethyl] ester Formula: C17H20N4O5 MolecularWeight: 360.3645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

COCCNC(=O)NC(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O5/c1-25-8-7-18-17(24)20-15(22)12-26-16(23)14-9-19-21(11-14)10-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3,(H2,18,20,22,24)