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

Systemtic Name: ethyl 4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[1-(4-nitroanilino)-1-oxopropan-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-nitroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-1-methyl-2-(4-nitroanilino)ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5/c1-3-25-16(22)19-10-8-18(9-11-19)12(2)15(21)17-13-4-6-14(7-5-13)20(23)24/h4-7,12H,3,8-11H2,1-2H3,(H,17,21)