(3R)-6-tert-butyl-N-[(E)-(2-nitro-5-oxidanyl-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-6-tert-butyl-N-[(E)-(2-nitro-5-oxidanyl-phenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-6-tert-butyl-N-[(E)-(5-hydroxy-2-nitro-phenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-6-tert-butyl-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-6-tert-butyl-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-6-tert-butyl-N-[(E)-(5-hydroxy-2-nitro-benzylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide 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)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)/b21-10+/t18-/m1/s1