[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O5S/c1-12-6-8-21(9-7-12)14-3-2-13(10-15(14)22(25)26)19(24)27-11-16(23)17-4-5-18(20)28-17/h2-5,10,12H,6-9,11H2,1H3