tert-butyl 3-[(6-nitroindol-1-yl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6-nitroindol-1-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[(6-nitroindol-1-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 3-[(6-nitro-1-indolyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6-nitroindol-1-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 3-[(6-nitroindol-1-yl)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CN2C=CC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)CN2C=CC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)25-17(22)20-8-6-13(12-20)11-19-9-7-14-4-5-15(21(23)24)10-16(14)19/h4-5,7,9-10,13H,6,8,11-12H2,1-3H3