N-[3-ethanoyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butanamide

Systemtic Name: N-[3-ethanoyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butanamide Openeye Name: N-[3-acetyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butanamide CAS Name: N-[3-acetyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butanamide IUPAC Name: N-[3-acetyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butanamide Traditional Name: N-[3-acetyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]butyramide Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)C

InChI

InChI=1S/C21H22N2O7/c1-3-4-20(25)22-16-5-6-19(18(9-16)13(2)24)29-11-15-8-17(23(26)27)7-14-10-28-12-30-21(14)15/h5-9H,3-4,10-12H2,1-2H3,(H,22,25)