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

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic 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] 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4)C

InChI

InChI=1S/C21H19BrN2O5/c1-11-12(2)23-16-4-3-13(7-14(11)16)21(26)29-10-20(25)24-17-9-19-18(8-15(17)22)27-5-6-28-19/h3-4,7-9,23H,5-6,10H2,1-2H3,(H,24,25)