2-[4-[[5-(3-nitrophenyl)furan-2-yl]carbonylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[5-(3-nitrophenyl)furan-2-yl]carbonylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[[5-(3-nitrophenyl)-2-furanyl]-oxomethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[5-(3-nitrophenyl)-2-furoyl]amino]phenyl]cinchoninic acid Formula: C27H17N3O6 MolecularWeight: 479.44038

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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=CC(=CC=C5)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H17N3O6/c31-26(25-13-12-24(36-25)17-4-3-5-19(14-17)30(34)35)28-18-10-8-16(9-11-18)23-15-21(27(32)33)20-6-1-2-7-22(20)29-23/h1-15H,(H,28,31)(H,32,33)