2,4-dimethyl-7-oxidanylidene-1-(phenylmethyl)pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid

Systemtic Name: 2,4-dimethyl-7-oxidanylidene-1-(phenylmethyl)pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid Openeye Name: 1-benzyl-2,4-dimethyl-7-oxo-pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid CAS Name: 2,4-dimethyl-7-oxo-1-(phenylmethyl)pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid IUPAC Name: 1-benzyl-2,4-dimethyl-7-oxopyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid Traditional Name: 1-benzyl-7-keto-2,4-dimethyl-pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C(=CN2C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C(=CN2C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O5/c1-10-13(18(24)25)14-15(16(21)12(17(22)23)9-19(14)2)20(10)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,22,23)(H,24,25)