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

Systemtic Name: O1-ethyl O3-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(7-methoxy-2-oxo-chromen-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(7-methoxy-2-oxochromen-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(2-keto-7-methoxy-chromen-4-yl)methyl] ester Formula: C21H17NO9 MolecularWeight: 427.36098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO9/c1-3-29-20(24)12-6-13(8-15(7-12)22(26)27)21(25)30-11-14-9-19(23)31-18-10-16(28-2)4-5-17(14)18/h4-10H,3,11H2,1-2H3