(E)-4-(1-methylindol-3-yl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1-methylindol-3-yl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(1-methylindol-3-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(1-methyl-3-indolyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1-methylindol-3-yl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(1-methylindol-3-yl)but-2-enoic acid Formula: C13H11NO3 MolecularWeight: 229.23134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)C=CC(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H11NO3/c1-14-8-10(12(15)6-7-13(16)17)9-4-2-3-5-11(9)14/h2-8H,1H3,(H,16,17)/b7-6+