4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione

Systemtic Name: 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione Openeye Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione CAS Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione IUPAC Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-2,5-quinone Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2CC(=O)NC3=C2C(=O)CC(C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2CC(=O)NC3=C2C(=O)CC(C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O6/c1-30-19-10-14(8-17(22(19)27)24(28)29)15-11-20(26)23-16-7-13(9-18(25)21(15)16)12-5-3-2-4-6-12/h2-6,8,10,13,15,27H,7,9,11H2,1H3,(H,23,26)