(E)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=CC(=O)C3=NN(C=C3)C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)/C=C/C(=O)C3=NN(C=C3)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5/c1-15-12-18(6-7-20(15)25(27)28)30-14-17-13-16(5-9-22(17)29-3)4-8-21(26)19-10-11-24(2)23-19/h4-13H,14H2,1-3H3/b8-4+