3-methyl-6-oxidanylidene-2-propyl-cyclohepta[d]imidazole-5,7-dicarboxylic acid

Systemtic Name: 3-methyl-6-oxidanylidene-2-propyl-cyclohepta[d]imidazole-5,7-dicarboxylic acid Openeye Name: 3-methyl-6-oxo-2-propyl-cyclohepta[d]imidazole-5,7-dicarboxylic acid CAS Name: 3-methyl-6-oxo-2-propylcyclohepta[d]imidazole-5,7-dicarboxylic acid IUPAC Name: 3-methyl-6-oxo-2-propylcyclohepta[d]imidazole-5,7-dicarboxylic acid Traditional Name: 6-keto-3-methyl-2-propyl-cyclohept[d]imidazole-5,7-dicarboxylic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O5/c1-3-4-11-15-9-5-7(13(18)19)12(17)8(14(20)21)6-10(9)16(11)2/h5-6H,3-4H2,1-2H3,(H,18,19)(H,20,21)