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

Systemtic Name: 7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-4-oxidanyl-5-oxidanylidene-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Openeye Name: 4-hydroxy-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile CAS Name: 4-hydroxy-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile IUPAC Name: 4-hydroxy-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Traditional Name: 4-hydroxy-5-keto-7,7-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-3,6-dihydro-2H-naphthalene-1,1-dicarbonitrile Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(CC(C(C2=C1)(C#N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)C

Isomeric SMILES

CC1(CC(=O)C2=C(CC(C(C2=C1)(C#N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)C

InChI

InChI=1S/C21H17N3O6/c1-20(2)6-13-19(16(26)7-20)15(25)4-12(21(13,8-22)9-23)11-3-17-18(30-10-29-17)5-14(11)24(27)28/h3,5-6,12,25H,4,7,10H2,1-2H3