2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]indene-1,3-dione

Systemtic Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]indene-1,3-dione Openeye Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]indane-1,3-dione CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylidene]indene-1,3-dione IUPAC Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]indene-1,3-dione Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]indane-1,3-quinone Formula: C27H18N2O4 MolecularWeight: 434.44282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6

InChI

InChI=1S/C27H18N2O4/c30-26-20-8-4-5-9-21(20)27(31)22(26)14-18-16-29(19-6-2-1-3-7-19)28-25(18)17-10-11-23-24(15-17)33-13-12-32-23/h1-11,14-16H,12-13H2