2-[4-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]carbonylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[5-(2-chloro-4-nitro-phenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[[5-(2-chloro-4-nitrophenyl)-2-furanyl]-oxomethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[5-(2-chloro-4-nitro-phenyl)-2-furoyl]amino]phenyl]cinchoninic acid Formula: C27H16ClN3O6 MolecularWeight: 513.88544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C27H16ClN3O6/c28-21-13-17(31(35)36)9-10-19(21)24-11-12-25(37-24)26(32)29-16-7-5-15(6-8-16)23-14-20(27(33)34)18-3-1-2-4-22(18)30-23/h1-14H,(H,29,32)(H,33,34)