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

Systemtic Name: methyl 2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,6,6-trimethyl-4-(3-nitrophenyl)-1,4,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-11-15(19(24)27-4)16(12-6-5-7-13(10-12)22(25)26)17-14(21-11)8-9-20(2,3)18(17)23/h5-7,10,16,21H,8-9H2,1-4H3