[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(4-carbethoxy-2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=NC=CN=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C2=NC=CN=C2)C)C

InChI

InChI=1S/C16H17N3O5/c1-4-23-16(22)14-10(3)19-9(2)13(14)12(20)8-24-15(21)11-7-17-5-6-18-11/h5-7,19H,4,8H2,1-3H3