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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-])Cl

InChI

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