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

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-5-chloro-1H-indole-2-carboxylic acid Formula: C18H13ClN2O5 MolecularWeight: 372.75922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O5/c19-9-1-3-13-11(5-9)12(17(21-13)18(23)24)7-16(22)20-10-2-4-14-15(6-10)26-8-25-14/h1-6,21H,7-8H2,(H,20,22)(H,23,24)