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

Systemtic Name: (3R)-6-tert-butyl-N'-[(5-methyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3R)-6-tert-butyl-N'-[(5-methyl-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3R)-6-tert-butyl-N'-[(5-methyl-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3R)-6-tert-butyl-N'-[(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3R)-6-tert-butyl-N'-[(6-keto-5-methyl-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNNC(=O)C2COC3=C(O2)C=C(C=C3)C(C)(C)C)C1=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=CNNC(=O)[C@H]2COC3=C(O2)C=C(C=C3)C(C)(C)C)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-12-7-15(24(27)28)8-13(19(12)25)10-22-23-20(26)18-11-29-16-6-5-14(21(2,3)4)9-17(16)30-18/h5-10,18,22H,11H2,1-4H3,(H,23,26)/t18-/m1/s1