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

Systemtic Name: 6-methyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid Openeye Name: 6-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid CAS Name: 6-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid IUPAC Name: 6-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid Traditional Name: 4-keto-6-methyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1,3-dicarboxylic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C(=O)C1)C(=CN2C(=O)O)C(=O)O

Isomeric SMILES

CC1CCC2=C(C(=O)C1)C(=CN2C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5/c1-6-2-3-8-10(9(14)4-6)7(11(15)16)5-13(8)12(17)18/h5-6H,2-4H2,1H3,(H,15,16)(H,17,18)