[2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C18H17N3O4/c1-12-8-15(13(2)21(12)10-14-4-3-7-24-14)17(22)11-25-18(23)16-9-19-5-6-20-16/h3-9H,10-11H2,1-2H3