6-[bis(1,3-benzodioxol-5-yl)carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 6-[bis(1,3-benzodioxol-5-yl)carbamoyl]pyridine-2-carboxylic acid Openeye Name: 6-[bis(1,3-benzodioxol-5-yl)carbamoyl]pyridine-2-carboxylic acid CAS Name: 6-[[bis(1,3-benzodioxol-5-yl)amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[bis(1,3-benzodioxol-5-yl)carbamoyl]pyridine-2-carboxylic acid Traditional Name: 6-[bis(1,3-benzodioxol-5-yl)carbamoyl]picolinic acid Formula: C21H14N2O7 MolecularWeight: 406.34506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O7/c24-20(14-2-1-3-15(22-14)21(25)26)23(12-4-6-16-18(8-12)29-10-27-16)13-5-7-17-19(9-13)30-11-28-17/h1-9H,10-11H2,(H,25,26)