2-(3-ethyl-2-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindol-5-yl)propanedioic acid

Systemtic Name: 2-(3-ethyl-2-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindol-5-yl)propanedioic acid Openeye Name: 2-(3-ethyl-2-methyl-4-oxo-1,5,6,7-tetrahydroindol-5-yl)propanedioic acid CAS Name: 2-(3-ethyl-2-methyl-4-oxo-1,5,6,7-tetrahydroindol-5-yl)propanedioic acid IUPAC Name: 2-(3-ethyl-2-methyl-4-oxo-1,5,6,7-tetrahydroindol-5-yl)propanedioic acid Traditional Name: 2-(3-ethyl-4-keto-2-methyl-1,5,6,7-tetrahydroindol-5-yl)malonic acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC2=C1C(=O)C(CC2)C(C(=O)O)C(=O)O)C

Isomeric SMILES

CCC1=C(NC2=C1C(=O)C(CC2)C(C(=O)O)C(=O)O)C

InChI

InChI=1S/C14H17NO5/c1-3-7-6(2)15-9-5-4-8(12(16)10(7)9)11(13(17)18)14(19)20/h8,11,15H,3-5H2,1-2H3,(H,17,18)(H,19,20)