phenethyl 4-(4-chloranyl-3-nitro-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 4-(4-chloranyl-3-nitro-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-chloro-3-nitro-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-chloro-3-nitrophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C25H23ClN2O5 MolecularWeight: 466.91352

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O5/c1-15-22(25(30)33-13-12-16-6-3-2-4-7-16)23(24-19(27-15)8-5-9-21(24)29)17-10-11-18(26)20(14-17)28(31)32/h2-4,6-7,10-11,14,22-23,27H,1,5,8-9,12-13H2