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

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

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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)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

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

InChI

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