3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O5/c1-18-7-8-19(15-23(18)30(32)33)24(31)11-9-21-17-29(22-5-3-2-4-6-22)28-27(21)20-10-12-25-26(16-20)35-14-13-34-25/h2-12,15-17H,13-14H2,1H3