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

Systemtic Name: O3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl] O1-methyl 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-methyl ester IUPAC Name: 3-O-[(6,7-dimethyl-2-oxochromen-4-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl] ester O1-methyl ester Formula: C21H17NO8 MolecularWeight: 411.36158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])C

InChI

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