(4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid p-anisyl ester Formula: C26H24N2O8 MolecularWeight: 492.47736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OCC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H24N2O8/c1-14-23(26(30)34-12-15-6-8-16(33-2)9-7-15)24(25-18(27-14)4-3-5-20(25)29)17-10-21-22(36-13-35-21)11-19(17)28(31)32/h4,6-11,24-25,27H,3,5,12-13H2,1-2H3