butan-2-yl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: butan-2-yl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: sec-butyl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7-(4-methoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid sec-butyl ester Formula: C29H30N2O8 MolecularWeight: 534.5571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C29H30N2O8/c1-5-15(2)39-29(33)26-16(3)30-21-10-18(17-6-8-19(36-4)9-7-17)11-23(32)28(21)27(26)20-12-24-25(38-14-37-24)13-22(20)31(34)35/h6-9,12-13,15,18,27,30H,5,10-11,14H2,1-4H3