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

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-(2-ethyl-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-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-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-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN2O5/c1-2-14-5-3-4-10-20(14)17(22)12-26-18(23)9-7-13-6-8-15(19)16(11-13)21(24)25/h6-9,11,14H,2-5,10,12H2,1H3/b9-7+