2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-5-nitro-quinoline

Systemtic Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-5-nitro-quinoline Openeye Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]-5-nitro-quinoline CAS Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]ethenyl]-5-nitroquinoline IUPAC Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]ethenyl]-5-nitroquinoline Traditional Name: 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]-5-nitro-quinoline Formula: C28H20N4O4 MolecularWeight: 476.4828

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC4=NC5=C(C=C4)C(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC4=NC5=C(C=C4)C(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C28H20N4O4/c33-32(34)25-8-4-7-24-23(25)13-12-21(29-24)11-9-20-18-31(22-5-2-1-3-6-22)30-28(20)19-10-14-26-27(17-19)36-16-15-35-26/h1-14,17-18H,15-16H2