ethyl 1-(3-bromophenyl)-5-(3-cyano-2-oxidanylidene-propoxy)-2-methyl-indole-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-5-(3-cyano-2-oxidanylidene-propoxy)-2-methyl-indole-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-5-(3-cyano-2-oxo-propoxy)-2-methyl-indole-3-carboxylate CAS Name: 1-(3-bromophenyl)-5-(3-cyano-2-oxopropoxy)-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-5-(3-cyano-2-oxopropoxy)-2-methylindole-3-carboxylate Traditional Name: 1-(3-bromophenyl)-5-(3-cyano-2-keto-propoxy)-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H19BrN2O4 MolecularWeight: 455.30126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)CC#N)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)CC#N)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C22H19BrN2O4/c1-3-28-22(27)21-14(2)25(16-6-4-5-15(23)11-16)20-8-7-18(12-19(20)21)29-13-17(26)9-10-24/h4-8,11-12H,3,9,13H2,1-2H3