tert-butyl 1-(chloromethyl)-8-cyano-5-oxidanyl-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 1-(chloromethyl)-8-cyano-5-oxidanyl-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 1-(chloromethyl)-8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 1-(chloromethyl)-8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(chloromethyl)-8-cyano-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 1-(chloromethyl)-8-cyano-5-hydroxy-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C19H19ClN2O3 MolecularWeight: 358.81876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C=C(C=CC3=C(C=C21)O)C#N)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C3C=C(C=CC3=C(C=C21)O)C#N)CCl

InChI

InChI=1S/C19H19ClN2O3/c1-19(2,3)25-18(24)22-10-12(8-20)17-14-6-11(9-21)4-5-13(14)16(23)7-15(17)22/h4-7,12,23H,8,10H2,1-3H3