2-[(E)-2-[3-ethoxy-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]phenyl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[3-ethoxy-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]phenyl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-[3-ethoxy-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]phenyl]vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-[3-ethoxy-4-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]phenyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-[3-ethoxy-4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-[3-ethoxy-4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]phenyl]vinyl]cinchoninate Formula: C26H23N4O6- MolecularWeight: 487.48402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])OCCN4C(=NC=C4[N+](=O)[O-])C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])OCCN4C(=NC=C4[N+](=O)[O-])C

InChI

InChI=1S/C26H24N4O6/c1-3-35-24-14-18(8-10-19-15-21(26(31)32)20-6-4-5-7-22(20)28-19)9-11-23(24)36-13-12-29-17(2)27-16-25(29)30(33)34/h4-11,14-16H,3,12-13H2,1-2H3,(H,31,32)/p-1/b10-8+