tert-butyl 3-(3-nitrocarbazol-9-yl)-2-(2-oxidanylpropyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-nitrocarbazol-9-yl)-2-(2-oxidanylpropyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(2-hydroxypropyl)-3-(3-nitrocarbazol-9-yl)piperazine-1-carboxylate CAS Name: 2-(2-hydroxypropyl)-3-(3-nitro-9-carbazolyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-hydroxypropyl)-3-(3-nitrocarbazol-9-yl)piperazine-1-carboxylate Traditional Name: 2-(2-hydroxypropyl)-3-(3-nitrocarbazol-9-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(NCCN1C(=O)OC(C)(C)C)N2C3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C42)O

Isomeric SMILES

CC(CC1C(NCCN1C(=O)OC(C)(C)C)N2C3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C42)O

InChI

InChI=1S/C24H30N4O5/c1-15(29)13-21-22(25-11-12-26(21)23(30)33-24(2,3)4)27-19-8-6-5-7-17(19)18-14-16(28(31)32)9-10-20(18)27/h5-10,14-15,21-22,25,29H,11-13H2,1-4H3