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

Systemtic Name: (3S)-N'-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Openeye Name: (3S)-N'-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide CAS Name: (3S)-N'-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide IUPAC Name: (3S)-N'-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide Traditional Name: (3S)-N'-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide Formula: C20H20BrN3O6 MolecularWeight: 478.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O6/c1-20(2,3)12-4-5-15-16(7-12)30-17(10-29-15)19(26)23-22-9-11-6-13(24(27)28)8-14(21)18(11)25/h4-9,17,22H,10H2,1-3H3,(H,23,26)/t17-/m0/s1