7-[2-[4-(carboxycarbonylamino)-3-cyano-phenyl]ethoxy]-5-oxidanyl-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[2-[4-(carboxycarbonylamino)-3-cyano-phenyl]ethoxy]-5-oxidanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[2-[3-cyano-4-(oxaloamino)phenyl]ethoxy]-5-hydroxy-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[2-[3-cyano-4-(oxaloamino)phenyl]ethoxy]-5-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[2-[3-cyano-4-(oxaloamino)phenyl]ethoxy]-5-hydroxy-4-oxochromene-2-carboxylic acid Traditional Name: 7-[2-[3-cyano-4-(oxaloamino)phenyl]ethoxy]-5-hydroxy-4-keto-chromene-2-carboxylic acid Formula: C21H14N2O9 MolecularWeight: 438.34386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCOC2=CC(=C3C(=C2)OC(=CC3=O)C(=O)O)O)C#N)NC(=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CCOC2=CC(=C3C(=C2)OC(=CC3=O)C(=O)O)O)C#N)NC(=O)C(=O)O

InChI

InChI=1S/C21H14N2O9/c22-9-11-5-10(1-2-13(11)23-19(26)21(29)30)3-4-31-12-6-14(24)18-15(25)8-17(20(27)28)32-16(18)7-12/h1-2,5-8,24H,3-4H2,(H,23,26)(H,27,28)(H,29,30)