oxolan-2-ylmethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: oxolan-2-ylmethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid tetrahydrofurfuryl ester Formula: C25H28N2O8 MolecularWeight: 484.49842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC5CCCO5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC5CCCO5

InChI

InChI=1S/C25H28N2O8/c1-13-21(24(29)33-11-14-5-4-6-32-14)22(23-16(26-13)9-25(2,3)10-18(23)28)15-7-19-20(35-12-34-19)8-17(15)27(30)31/h7-9,14,22-23,26H,4-6,10-12H2,1-3H3