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

Systemtic Name: pentyl (4S)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-nitrophenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C24H30N2O5/c1-5-6-7-11-31-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-9-8-10-17(12-16)26(29)30/h8-10,12,21,25H,5-7,11,13-14H2,1-4H3/t21-/m1/s1