6-[2-azanyl-1,1-bis(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]pyridine-2,4-dicarboxylic acid

Systemtic Name: 6-[2-azanyl-1,1-bis(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]pyridine-2,4-dicarboxylic acid Openeye Name: 6-[2-amino-1,1-bis(1,3-benzodioxol-5-yl)-2-oxo-ethyl]pyridine-2,4-dicarboxylic acid CAS Name: 6-[2-amino-1,1-bis(1,3-benzodioxol-5-yl)-2-oxoethyl]pyridine-2,4-dicarboxylic acid IUPAC Name: 6-[2-amino-1,1-bis(1,3-benzodioxol-5-yl)-2-oxoethyl]pyridine-2,4-dicarboxylic acid Traditional Name: 6-[2-amino-1,1-bis(1,3-benzodioxol-5-yl)-2-keto-ethyl]lutidinic acid Formula: C23H16N2O9 MolecularWeight: 464.38114

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)(C5=CC(=CC(=N5)C(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)(C5=CC(=CC(=N5)C(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C23H16N2O9/c24-22(30)23(12-1-3-15-17(7-12)33-9-31-15,13-2-4-16-18(8-13)34-10-32-16)19-6-11(20(26)27)5-14(25-19)21(28)29/h1-8H,9-10H2,(H2,24,30)(H,26,27)(H,28,29)