2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-8-nitro-quinoline

Systemtic Name: 2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]ethenyl]-8-nitro-quinoline Openeye Name: 2-[(E)-2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]-8-nitro-quinoline CAS Name: 2-[(E)-2-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]ethenyl]-8-nitroquinoline IUPAC Name: 2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]ethenyl]-8-nitroquinoline Traditional Name: 2-[(E)-2-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]vinyl]-8-nitro-quinoline Formula: C28H18N4O3 MolecularWeight: 458.46752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=CC5=NC6=C(C=CC=C6[N+](=O)[O-])C=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=C/C5=NC6=C(C=CC=C6[N+](=O)[O-])C=C5

InChI

InChI=1S/C28H18N4O3/c33-32(34)24-11-6-8-19-13-15-22(29-27(19)24)16-14-21-18-31(23-9-2-1-3-10-23)30-28(21)26-17-20-7-4-5-12-25(20)35-26/h1-18H/b16-14+