methyl 4-[(E)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]prop-1-enyl]benzoic acid methyl ester Formula: C20H17NO8 MolecularWeight: 399.35088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO8/c1-26-20(23)14-5-2-13(3-6-14)4-7-18(22)28-11-16-9-17(21(24)25)8-15-10-27-12-29-19(15)16/h2-9H,10-12H2,1H3/b7-4+