5-ethanoyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid

Systemtic Name: 5-ethanoyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid Openeye Name: 5-acetyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid CAS Name: 5-acetyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid IUPAC Name: 5-acetyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid Traditional Name: 5-acetyl-4-keto-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid Formula: C13H13NO6 MolecularWeight: 279.24542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCCC2=C(C1=O)C(=CN2C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1CCCC2=C(C1=O)C(=CN2C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO6/c1-6(15)7-3-2-4-9-10(11(7)16)8(12(17)18)5-14(9)13(19)20/h5,7H,2-4H2,1H3,(H,17,18)(H,19,20)