tert-butyl (1S)-1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-1-(chloromethyl)-5-nitro-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C1C=C(C3=CC=CC=C32)[N+](=O)[O-])CCl

InChI

InChI=1S/C18H19ClN2O4/c1-18(2,3)25-17(22)20-10-11(9-19)16-13-7-5-4-6-12(13)14(21(23)24)8-15(16)20/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1