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

Systemtic Name: O3-[(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(7-acetamido-2-oxo-chromen-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(7-acetamido-2-oxo-1-benzopyran-4-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(7-acetamido-2-oxochromen-4-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(7-acetamido-2-keto-chromen-4-yl)methyl] ester O1-methyl ester Formula: C21H16N2O9 MolecularWeight: 440.35974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O9/c1-11(24)22-15-3-4-17-14(8-19(25)32-18(17)9-15)10-31-21(27)13-5-12(20(26)30-2)6-16(7-13)23(28)29/h3-9H,10H2,1-2H3,(H,22,24)