ethyl 2-[4-(2-cyano-4-nitro-phenyl)-2,6-dimethyl-piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(2-cyano-4-nitro-phenyl)-2,6-dimethyl-piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(2-cyano-4-nitro-phenyl)-2,6-dimethyl-piperazin-1-yl]acetate CAS Name: 2-[4-(2-cyano-4-nitrophenyl)-2,6-dimethyl-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-cyano-4-nitrophenyl)-2,6-dimethylpiperazin-1-yl]acetate Traditional Name: 2-[4-(2-cyano-4-nitro-phenyl)-2,6-dimethyl-piperazino]acetic acid ethyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(CN(CC1C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)CN1C(CN(CC1C)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C17H22N4O4/c1-4-25-17(22)11-20-12(2)9-19(10-13(20)3)16-6-5-15(21(23)24)7-14(16)8-18/h5-7,12-13H,4,9-11H2,1-3H3