2-(4,5-dimethoxy-2-nitro-phenyl)-7,7-dimethyl-4-oxidanyl-5-oxidanylidene-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile

Systemtic Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-7,7-dimethyl-4-oxidanyl-5-oxidanylidene-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Openeye Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-4-hydroxy-7,7-dimethyl-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile CAS Name: 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-7,7-dimethyl-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-7,7-dimethyl-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Traditional Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-4-hydroxy-5-keto-7,7-dimethyl-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(CC(C(C2=C1)(C#N)C#N)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)O)C

Isomeric SMILES

CC1(CC(=O)C2=C(CC(C(C2=C1)(C#N)C#N)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)O)C

InChI

InChI=1S/C22H21N3O6/c1-21(2)8-14-20(17(27)9-21)16(26)6-13(22(14,10-23)11-24)12-5-18(30-3)19(31-4)7-15(12)25(28)29/h5,7-8,13,26H,6,9H2,1-4H3