[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C18H21ClN2O5/c1-12-7-13(2)10-20(9-12)17(22)11-26-18(23)6-4-14-3-5-15(19)16(8-14)21(24)25/h3-6,8,12-13H,7,9-11H2,1-2H3/b6-4+