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

Systemtic Name: 6-bromanyl-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[5-(4-methyl-2-nitrophenyl)-2-furanyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[5-(4-methyl-2-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[5-(4-methyl-2-nitro-phenyl)-2-furyl]vinyl]cinchoninic acid Formula: C23H15BrN2O5 MolecularWeight: 479.2796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=CC3=NC4=C(C=C(C=C4)Br)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=C(C=C4)Br)C(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H15BrN2O5/c1-13-2-7-17(21(10-13)26(29)30)22-9-6-16(31-22)5-4-15-12-19(23(27)28)18-11-14(24)3-8-20(18)25-15/h2-12H,1H3,(H,27,28)/b5-4+