2-methylpropyl 2-methylidene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 2-methylidene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isobutyl 2-methylene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methylidene-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-(6-nitro-1,3-benzodioxol-5-yl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isobutyl ester Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

CC(C)COC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)NC1=C)C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C28H28N2O7/c1-15(2)13-35-28(32)25-16(3)29-20-9-18(17-7-5-4-6-8-17)10-22(31)27(20)26(25)19-11-23-24(37-14-36-23)12-21(19)30(33)34/h4-8,11-12,15,18,25-26,29H,3,9-10,13-14H2,1-2H3