3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C27H19N3O4 MolecularWeight: 449.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=CC=CC=C4O3)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O4/c1-18-11-12-19(15-23(18)30(32)33)24(31)14-13-21-17-29(22-8-3-2-4-9-22)28-27(21)26-16-20-7-5-6-10-25(20)34-26/h2-17H,1H3