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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-(piperonylamino)ethyl]-1H-indole-2-carboxylic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN2O5/c20-11-2-3-14-12(6-11)13(18(22-14)19(24)25)7-17(23)21-8-10-1-4-15-16(5-10)27-9-26-15/h1-6,22H,7-9H2,(H,21,23)(H,24,25)