[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C23H21BrN2O5/c1-14-10-17(15(2)26(14)16-6-4-3-5-7-16)23(28)31-13-22(27)25-19-12-21-20(11-18(19)24)29-8-9-30-21/h3-7,10-12H,8-9,13H2,1-2H3,(H,25,27)