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

Systemtic Name: O3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl] ester O1-ethyl ester IUPAC Name: 3-O-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl] ester O1-ethyl ester Formula: C21H16ClNO8 MolecularWeight: 445.80664

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO8/c1-3-29-20(25)12-5-13(7-15(6-12)23(27)28)21(26)30-10-14-8-19(24)31-18-4-11(2)17(22)9-16(14)18/h4-9H,3,10H2,1-2H3