3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N2O5/c1-21-14-5-3-2-4-12(14)13(18(21)19(23)24)9-17(22)20-11-6-7-15-16(8-11)26-10-25-15/h2-8H,9-10H2,1H3,(H,20,22)(H,23,24)