3-[[2-(2-acetyloxyphenyl)-2-oxidanylidene-ethyl]amino]-6-chloranyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[2-(2-acetyloxyphenyl)-2-oxidanylidene-ethyl]amino]-6-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[2-(2-acetoxyphenyl)-2-oxo-ethyl]amino]-6-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[[2-(2-acetyloxyphenyl)-2-oxoethyl]amino]-6-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[[2-(2-acetyloxyphenyl)-2-oxoethyl]amino]-6-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[[2-(2-acetoxyphenyl)-2-keto-ethyl]amino]-6-chloro-1H-indole-2-carboxylic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)CNC2=C(NC3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)CNC2=C(NC3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN2O5/c1-10(23)27-16-5-3-2-4-13(16)15(24)9-21-17-12-7-6-11(20)8-14(12)22-18(17)19(25)26/h2-8,21-22H,9H2,1H3,(H,25,26)