O3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl] ester O1-ethyl ester IUPAC Name: 3-O-[(6,7-dimethyl-2-oxochromen-4-yl)methyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl] ester Formula: C22H19NO8 MolecularWeight: 425.38816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO8/c1-4-29-21(25)14-7-15(9-17(8-14)23(27)28)22(26)30-11-16-10-20(24)31-19-6-13(3)12(2)5-18(16)19/h5-10H,4,11H2,1-3H3