4-[5-methyl-2,3-bis(oxidanylidene)indol-1-yl]butanoic acid

Systemtic Name: 4-[5-methyl-2,3-bis(oxidanylidene)indol-1-yl]butanoic acid Openeye Name: 4-(5-methyl-2,3-dioxo-indolin-1-yl)butanoic acid CAS Name: 4-(5-methyl-2,3-dioxo-1-indolyl)butanoic acid IUPAC Name: 4-(5-methyl-2,3-dioxoindol-1-yl)butanoic acid Traditional Name: 4-(2,3-diketo-5-methyl-indolin-1-yl)butyric acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)CCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)CCCC(=O)O

InChI

InChI=1S/C13H13NO4/c1-8-4-5-10-9(7-8)12(17)13(18)14(10)6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,15,16)