4-oxidanylidene-1-(phenylmethyl)-7H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-oxidanylidene-1-(phenylmethyl)-7H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid Openeye Name: 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid CAS Name: 4-oxo-1-(phenylmethyl)-7H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid IUPAC Name: 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid Traditional Name: 1-benzyl-4-keto-7H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2NC=C(C3=O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2NC=C(C3=O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O5/c19-13-10(15(20)21)6-17-14-12(13)11(16(22)23)8-18(14)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,19)(H,20,21)(H,22,23)