tert-butyl 4-[3-[methyl-(4-nitrophenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[methyl-(4-nitrophenyl)amino]-3-oxidanylidene-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(N-methyl-4-nitro-anilino)-3-oxo-propyl]piperazine-1-carboxylate CAS Name: 4-[3-(N-methyl-4-nitroanilino)-3-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(N-methyl-4-nitroanilino)-3-oxopropyl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-3-(N-methyl-4-nitro-anilino)propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5/c1-19(2,3)28-18(25)22-13-11-21(12-14-22)10-9-17(24)20(4)15-5-7-16(8-6-15)23(26)27/h5-8H,9-14H2,1-4H3