(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C19H14BrNO8 MolecularWeight: 464.22036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C19H14BrNO8/c1-26-16-7-13(14(21(24)25)8-17(16)27-2)19(23)28-9-10-5-18(22)29-15-6-11(20)3-4-12(10)15/h3-8H,9H2,1-2H3