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

Systemtic Name: 2-butyl-3-methyl-6-oxidanylidene-cyclohepta[d]imidazole-5,7-dicarboxylic acid Openeye Name: 2-butyl-3-methyl-6-oxo-cyclohepta[d]imidazole-5,7-dicarboxylic acid CAS Name: 2-butyl-3-methyl-6-oxocyclohepta[d]imidazole-5,7-dicarboxylic acid IUPAC Name: 2-butyl-3-methyl-6-oxocyclohepta[d]imidazole-5,7-dicarboxylic acid Traditional Name: 2-butyl-6-keto-3-methyl-cyclohept[d]imidazole-5,7-dicarboxylic acid Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1C)C=C(C(=O)C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O5/c1-3-4-5-12-16-10-6-8(14(19)20)13(18)9(15(21)22)7-11(10)17(12)2/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22)