[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O4/c1-12-7-13(2)14-9-18(24-17(14)8-12)21(28)29-11-20(27)23-10-19(26)25-16-6-4-3-5-15(16)22/h3-9,24H,10-11H2,1-2H3,(H,23,27)(H,25,26)