7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-4-propan-2-yl-chromen-2-one

Systemtic Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-4-propan-2-yl-chromen-2-one Openeye Name: 4-isopropyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]chromen-2-one CAS Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-4-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-4-propan-2-ylchromen-2-one Traditional Name: 4-isopropyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]coumarin Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H19NO7/c1-12(2)18-8-20(23)29-19-7-16(3-4-17(18)19)27-10-14-6-15(22(24)25)5-13-9-26-11-28-21(13)14/h3-8,12H,9-11H2,1-2H3