2-[2-(3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-(3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)ethanoylamino]butanedioic acid Openeye Name: 2-[[2-(3-hydroxy-2-oxo-indolin-3-yl)acetyl]amino]butanedioic acid CAS Name: 2-[[2-(3-hydroxy-2-oxo-1H-indol-3-yl)-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]amino]butanedioic acid Traditional Name: 2-[[2-(3-hydroxy-2-keto-indolin-3-yl)acetyl]amino]succinic acid Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)NC(CC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)NC(CC(=O)O)C(=O)O)O

InChI

InChI=1S/C14H14N2O7/c17-10(15-9(12(20)21)5-11(18)19)6-14(23)7-3-1-2-4-8(7)16-13(14)22/h1-4,9,23H,5-6H2,(H,15,17)(H,16,22)(H,18,19)(H,20,21)