methyl 4-(2-chloranyl-5-nitro-phenyl)-2,6,6-trimethyl-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(2-chloranyl-5-nitro-phenyl)-2,6,6-trimethyl-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(2-chloro-5-nitro-phenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(2-chloro-5-nitrophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-5-nitrophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(2-chloro-5-nitro-phenyl)-5-keto-2,6,6-trimethyl-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCC(C2=O)(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CCC(C2=O)(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C20H21ClN2O5/c1-10-15(19(25)28-4)16(12-9-11(23(26)27)5-6-13(12)21)17-14(22-10)7-8-20(2,3)18(17)24/h5-6,9,16,22H,7-8H2,1-4H3