methyl 2-(3-bromanylpropyl)-1-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)-2H-benzo[g]indole-3-carboxylate

Systemtic Name: methyl 2-(3-bromanylpropyl)-1-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)-2H-benzo[g]indole-3-carboxylate Openeye Name: methyl 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxo-ethyl)-2H-benzo[g]indole-3-carboxylate CAS Name: 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxoethyl)-2H-benzo[g]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromopropyl)-1-cyano-3-(2-methoxy-2-oxoethyl)-2H-benzo[g]indole-3-carboxylate Traditional Name: 2-(3-bromopropyl)-1-cyano-3-(2-keto-2-methoxy-ethyl)-2H-benz[g]indole-3-carboxylic acid methyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(C(N(C2=C1C=CC3=CC=CC=C32)C#N)CCCBr)C(=O)OC

Isomeric SMILES

COC(=O)CC1(C(N(C2=C1C=CC3=CC=CC=C32)C#N)CCCBr)C(=O)OC

InChI

InChI=1S/C21H21BrN2O4/c1-27-18(25)12-21(20(26)28-2)16-10-9-14-6-3-4-7-15(14)19(16)24(13-23)17(21)8-5-11-22/h3-4,6-7,9-10,17H,5,8,11-12H2,1-2H3