3-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[(6-acetyl-1,3-benzodioxol-5-yl)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]pyrazinoic acid Formula: C15H11N3O6 MolecularWeight: 329.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NC=CN=C3C(=O)O)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=NC=CN=C3C(=O)O)OCO2

InChI

InChI=1S/C15H11N3O6/c1-7(19)8-4-10-11(24-6-23-10)5-9(8)18-14(20)12-13(15(21)22)17-3-2-16-12/h2-5H,6H2,1H3,(H,18,20)(H,21,22)