6-chloranyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-chloranyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-chloro-2-[(E)-2-[5-(4-nitrophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-chloro-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]cinchoninic acid Formula: C22H13ClN2O5 MolecularWeight: 420.80202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)/C=C/C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H13ClN2O5/c23-14-3-9-20-18(11-14)19(22(26)27)12-15(24-20)4-7-17-8-10-21(30-17)13-1-5-16(6-2-13)25(28)29/h1-12H,(H,26,27)/b7-4+