4,6-bis(chloranyl)-3-[3-(cyclopropylmethylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-[3-(cyclopropylmethylamino)-3-oxidanylidene-prop-1-ynyl]-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-oxo-prop-1-ynyl]-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-oxoprop-1-ynyl]-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-3-[3-(cyclopropylmethylamino)-3-keto-prop-1-ynyl]-1H-indole-2-carboxylic acid Formula: C16H12Cl2N2O3 MolecularWeight: 351.18408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC1CNC(=O)C#CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H12Cl2N2O3/c17-9-5-11(18)14-10(15(16(22)23)20-12(14)6-9)3-4-13(21)19-7-8-1-2-8/h5-6,8,20H,1-2,7H2,(H,19,21)(H,22,23)