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

Systemtic Name: 3-[(E)-[[(3R)-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 3-[(E)-[[(3R)-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 3-[(E)-[[[(3R)-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 3-[(E)-[[(3R)-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 3-[(E)-[[(3R)-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carbonyl]hydrazono]methyl]-4-nitro-phenolate Formula: C20H20N3O6- MolecularWeight: 398.3893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=C(C=CC(=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-20(2,3)13-4-7-16-17(9-13)29-18(11-28-16)19(25)22-21-10-12-8-14(24)5-6-15(12)23(26)27/h4-10,18,24H,11H2,1-3H3,(H,22,25)/p-1/b21-10+/t18-/m1/s1