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

Systemtic Name: O3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(7-ethyl-2-oxo-chromen-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(7-ethyl-2-oxochromen-4-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(7-ethyl-2-keto-chromen-4-yl)methyl] ester O1-methyl ester Formula: C21H17NO8 MolecularWeight: 411.36158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO8/c1-3-12-4-5-17-15(10-19(23)30-18(17)6-12)11-29-21(25)14-7-13(20(24)28-2)8-16(9-14)22(26)27/h4-10H,3,11H2,1-2H3