(3R)-6-tert-butyl-N'-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Systemtic Name: (3R)-6-tert-butyl-N'-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3R)-6-tert-butyl-N'-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3R)-6-tert-butyl-N'-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3R)-6-tert-butyl-N'-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3R)-6-tert-butyl-N'-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NNC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC[C@@H](O2)C(=O)NNC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-20(2,3)13-5-7-16-17(9-13)29-18(11-28-16)19(25)22-21-10-12-4-6-15(24)14(8-12)23(26)27/h4-10,18,21H,11H2,1-3H3,(H,22,25)/t18-/m1/s1