methyl 4,6-bis(chloranyl)-3-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-1H-indole-2-carboxylate

Systemtic Name: methyl 4,6-bis(chloranyl)-3-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-1H-indole-2-carboxylate Openeye Name: methyl 3-(3-anilino-3-oxo-prop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylate CAS Name: 3-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-anilino-3-oxoprop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylate Traditional Name: 3-(3-anilino-3-keto-prop-1-ynyl)-4,6-dichloro-1H-indole-2-carboxylic acid methyl ester Formula: C19H12Cl2N2O3 MolecularWeight: 387.21618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C#CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C#CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H12Cl2N2O3/c1-26-19(25)18-13(17-14(21)9-11(20)10-15(17)23-18)7-8-16(24)22-12-5-3-2-4-6-12/h2-6,9-10,23H,1H3,(H,22,24)