2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]vinyl]cinchoninic acid Formula: C23H16N2O5 MolecularWeight: 400.38354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O5/c1-14-6-10-18(21(12-14)25(28)29)22-11-9-16(30-22)8-7-15-13-19(23(26)27)17-4-2-3-5-20(17)24-15/h2-13H,1H3,(H,26,27)/b8-7+