4-[5-[[4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyridin-3-yl]benzoic acid

Systemtic Name: 4-[5-[[4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyridin-3-yl]benzoic acid Openeye Name: 4-[5-[(1-formyl-3-hydroxy-3-oxo-propyl)carbamoyl]-3-pyridyl]benzoic acid CAS Name: 4-[5-[[(4-hydroxy-1,4-dioxobutan-2-yl)amino]-oxomethyl]-3-pyridinyl]benzoic acid IUPAC Name: 4-[5-[(4-hydroxy-1,4-dioxobutan-2-yl)carbamoyl]pyridin-3-yl]benzoic acid Traditional Name: 4-[5-[(1-formyl-3-hydroxy-3-keto-propyl)carbamoyl]-3-pyridyl]benzoic acid Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)NC(CC(=O)O)C=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)NC(CC(=O)O)C=O)C(=O)O

InChI

InChI=1S/C17H14N2O6/c20-9-14(6-15(21)22)19-16(23)13-5-12(7-18-8-13)10-1-3-11(4-2-10)17(24)25/h1-5,7-9,14H,6H2,(H,19,23)(H,21,22)(H,24,25)