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

Systemtic Name: O3-[(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(7-acetamido-2-oxo-chromen-4-yl)methyl] O1-ethyl 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-ethyl ester IUPAC Name: 3-O-[(7-acetamido-2-oxochromen-4-yl)methyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(7-acetamido-2-keto-chromen-4-yl)methyl] ester O1-ethyl ester Formula: C22H18N2O9 MolecularWeight: 454.38632

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O9/c1-3-31-21(27)13-6-14(8-17(7-13)24(29)30)22(28)32-11-15-9-20(26)33-19-10-16(23-12(2)25)4-5-18(15)19/h4-10H,3,11H2,1-2H3,(H,23,25)