3-[[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[4-(4-hydroxy-4-oxo-butyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[4-(4-hydroxy-4-oxobutyl)anilino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[4-(4-hydroxy-4-oxobutyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[4-(4-hydroxy-4-keto-butyl)phenyl]carbamoyl]pyrazinoic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C16H15N3O5/c20-12(21)3-1-2-10-4-6-11(7-5-10)19-15(22)13-14(16(23)24)18-9-8-17-13/h4-9H,1-3H2,(H,19,22)(H,20,21)(H,23,24)