1,2-dimethyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid

Systemtic Name: 1,2-dimethyl-7-oxidanylidene-3-(phenylcarbonyl)-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Openeye Name: 3-benzoyl-1,2-dimethyl-7-oxo-4-prop-2-ynyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid CAS Name: 3-benzoyl-1,2-dimethyl-7-oxo-4-prop-2-ynyl-6-pyrrolo[3,2-b]pyridinecarboxylic acid IUPAC Name: 3-benzoyl-1,2-dimethyl-7-oxo-4-prop-2-ynylpyrrolo[3,2-b]pyridine-6-carboxylic acid Traditional Name: 3-benzoyl-7-keto-1,2-dimethyl-4-propargyl-pyrrolo[3,2-b]pyridine-6-carboxylic acid Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C(=CN2CC#C)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C(=CN2CC#C)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O4/c1-4-10-22-11-14(20(25)26)19(24)17-16(22)15(12(2)21(17)3)18(23)13-8-6-5-7-9-13/h1,5-9,11H,10H2,2-3H3,(H,25,26)