tert-butyl 4-[2-[(4-nitrophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-nitrophenyl)-propan-2-yl-amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(N-isopropyl-4-nitro-anilino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-nitro-N-propan-2-ylanilino)-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-nitro-N-propan-2-ylanilino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-isopropyl-4-nitro-anilino)-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N4O5/c1-15(2)23(16-6-8-17(9-7-16)24(27)28)18(25)14-21-10-12-22(13-11-21)19(26)29-20(3,4)5/h6-9,15H,10-14H2,1-5H3