ethyl 1-[2-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C19H21ClN2O7 MolecularWeight: 424.83224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O7/c1-2-28-19(25)14-7-9-21(10-8-14)17(23)12-29-18(24)6-4-13-3-5-15(20)16(11-13)22(26)27/h3-6,11,14H,2,7-10,12H2,1H3/b6-4+