2-[(E)-[[(3S)-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-6-methyl-4-nitro-phenolate

Systemtic Name: 2-[(E)-[[(3S)-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[(E)-[[(3S)-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazono]methyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[(E)-[[[(3S)-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]methyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[(E)-[[(3S)-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[(E)-[[(3S)-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carbonyl]hydrazono]methyl]-6-methyl-4-nitro-phenolate Formula: C21H22N3O6- MolecularWeight: 412.41588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)[C@@H]2COC3=C(O2)C=C(C=C3)C(C)(C)C)[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/h5-10,18,25H,11H2,1-4H3,(H,23,26)/p-1/b22-10+/t18-/m0/s1