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

Systemtic Name: 8-methyl-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 8-methyl-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 8-methyl-2-[(E)-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 8-methyl-2-[(E)-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 8-methyl-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]vinyl]cinchoninic acid Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O5/c1-14-6-10-19(21(12-14)26(29)30)22-11-9-17(31-22)8-7-16-13-20(24(27)28)18-5-3-4-15(2)23(18)25-16/h3-13H,1-2H3,(H,27,28)/b8-7+