2-diethylaminoethyl 4-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(5-bromo-2-oxo-indol-3-yl)amino]benzoate CAS Name: 4-[(5-bromo-2-oxo-3-indolyl)amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(5-bromo-2-oxoindol-3-yl)amino]benzoate Traditional Name: 4-[(5-bromo-2-keto-indol-3-yl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC2=O)Br

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC2=O)Br

InChI

InChI=1S/C21H22BrN3O3/c1-3-25(4-2)11-12-28-21(27)14-5-8-16(9-6-14)23-19-17-13-15(22)7-10-18(17)24-20(19)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,24,26)