ethanoic acid; 3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid

Systemtic Name: ethanoic acid; 3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid Openeye Name: acetic acid; 3-(1H-indol-3-yl)-2-oxo-propanoic acid CAS Name: acetic acid; 3-(1H-indol-3-yl)-2-oxopropanoic acid IUPAC Name: acetic acid; 3-(1H-indol-3-yl)-2-oxopropanoic acid Traditional Name: acetic acid; 3-(1H-indol-3-yl)-2-keto-propionic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O

InChI

InChI=1S/C11H9NO3.C2H4O2/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9;1-2(3)4/h1-4,6,12H,5H2,(H,14,15);1H3,(H,3,4)