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

Systemtic Name: 6-methyl-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-methyl-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-methyl-2-[(E)-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-methyl-2-[(E)-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-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=CC2=C(C=C1)N=C(C=C2C(=O)O)C=CC3=CC=C(O3)C4=C(C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)/C=C/C3=CC=C(O3)C4=C(C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O5/c1-14-4-9-21-19(11-14)20(24(27)28)13-16(25-21)5-6-17-7-10-23(31-17)18-8-3-15(2)12-22(18)26(29)30/h3-13H,1-2H3,(H,27,28)/b6-5+