(E)-3-[4-methoxy-3-[(5-methyl-2-nitro-phenoxy)methyl]phenyl]-1-(2-methylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-[(5-methyl-2-nitro-phenoxy)methyl]phenyl]-1-(2-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-[(5-methyl-2-nitro-phenoxy)methyl]phenyl]-1-(2-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-[(5-methyl-2-nitrophenoxy)methyl]phenyl]-1-(2-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-[(5-methyl-2-nitrophenoxy)methyl]phenyl]-1-(2-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-[(5-methyl-2-nitro-phenoxy)methyl]phenyl]-1-(2-methylpyrazol-3-yl)prop-2-en-1-one Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)C=CC(=O)C3=CC=NN3C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC(=C2)/C=C/C(=O)C3=CC=NN3C)OC

InChI

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