2-[4-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[(E)-4-hydroxy-4-oxo-but-2-enoyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[(E)-4-hydroxy-1,4-dioxobut-2-enyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]phenyl]cinchoninic acid Formula: C20H14N2O5 MolecularWeight: 362.33556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)C=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C20H14N2O5/c23-18(9-10-19(24)25)21-13-7-5-12(6-8-13)17-11-15(20(26)27)14-3-1-2-4-16(14)22-17/h1-11H,(H,21,23)(H,24,25)(H,26,27)/b10-9+