tert-butyl 4-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5/c1-13-5-6-14(11-15(13)22(25)26)19-16(23)12-20-7-9-21(10-8-20)17(24)27-18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,19,23)