ethyl 5-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-1H-indole-2-carboxylate CAS Name: 5-[[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-oxomethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoyl]-1H-indole-2-carboxylate Traditional Name: 5-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrN3O4/c1-3-29-21(28)18-10-14-9-13(4-6-17(14)24-18)20(27)23-11-19(26)25-16-7-5-15(22)8-12(16)2/h4-10,24H,3,11H2,1-2H3,(H,23,27)(H,25,26)