[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18Br2N2O3 MolecularWeight: 494.17652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)C)Br)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)C)Br)C

InChI

InChI=1S/C20H18Br2N2O3/c1-10-4-12(3)13-8-17(23-16(13)7-10)20(26)27-9-18(25)24-19-14(21)5-11(2)6-15(19)22/h4-8,23H,9H2,1-3H3,(H,24,25)