4,6-bis(chloranyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-3-(3-methoxy-3-oxo-propyl)-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-(3-methoxy-3-oxopropyl)-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-3-(3-methoxy-3-oxopropyl)-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-3-(3-keto-3-methoxy-propyl)-1H-indole-2-carboxylic acid Formula: C13H11Cl2NO4 MolecularWeight: 316.13674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(NC2=CC(=CC(=C21)Cl)Cl)C(=O)O

Isomeric SMILES

COC(=O)CCC1=C(NC2=CC(=CC(=C21)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H11Cl2NO4/c1-20-10(17)3-2-7-11-8(15)4-6(14)5-9(11)16-12(7)13(18)19/h4-5,16H,2-3H2,1H3,(H,18,19)