[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H14N4O6 MolecularWeight: 358.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C16H14N4O6/c21-14(9-26-15(22)11-8-17-3-4-18-11)20-16(23)19-10-1-2-12-13(7-10)25-6-5-24-12/h1-4,7-8H,5-6,9H2,(H2,19,20,21,23)