N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxidanyl-3,5-di(propan-2-yl)benzamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-oxidanyl-3,5-di(propan-2-yl)benzamide Openeye Name: 2-hydroxy-3,5-diisopropyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide CAS Name: 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide IUPAC Name: 2-hydroxy-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3,5-di(propan-2-yl)benzamide Traditional Name: 2-hydroxy-3,5-diisopropyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(C)C

InChI

InChI=1S/C21H23N3O6/c1-11(2)13-5-15(12(3)4)20(25)16(6-13)21(26)23-22-9-14-7-18-19(30-10-29-18)8-17(14)24(27)28/h5-9,11-12,25H,10H2,1-4H3,(H,23,26)/b22-9+