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

Systemtic Name: pentyl 2,5,5-trimethyl-4-(3-nitrophenyl)-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl 2,5,5-trimethyl-4-(3-nitrophenyl)-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,5,5-trimethyl-4-(3-nitrophenyl)-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl 2,5,5-trimethyl-4-(3-nitrophenyl)-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 7-keto-2,5,5-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(CC(=O)C2)(C)C)C

Isomeric SMILES

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

InChI

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