[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=CC=C41

InChI

InChI=1S/C22H18BrN3O3/c1-2-26-19-6-4-3-5-17(19)18-10-16(7-8-20(18)26)25-21(27)13-29-22(28)14-9-15(23)12-24-11-14/h3-12H,2,13H2,1H3,(H,25,27)