[2-(methylamino)-2-oxidanylidene-ethyl] 4-[4-(4-nitrophenyl)phenyl]piperazine-1-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-[4-(4-nitrophenyl)phenyl]piperazine-1-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-[4-(4-nitrophenyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(4-nitrophenyl)phenyl]-1-piperazinecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-[4-(4-nitrophenyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-nitrophenyl)phenyl]piperazine-1-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)COC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-21-19(25)14-29-20(26)23-12-10-22(11-13-23)17-6-2-15(3-7-17)16-4-8-18(9-5-16)24(27)28/h2-9H,10-14H2,1H3,(H,21,25)