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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C18H14N2O5/c21-16(19-10-5-6-14-15(7-10)25-9-24-14)8-12-11-3-1-2-4-13(11)20-17(12)18(22)23/h1-7,20H,8-9H2,(H,19,21)(H,22,23)