(E)-1-(4-methyl-3-nitro-phenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[4-(4-pyridylmethoxy)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-methyl-3-nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methyl-3-nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[4-(4-pyridylmethoxy)phenyl]prop-2-en-1-one Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O4/c1-16-2-6-19(14-21(16)24(26)27)22(25)9-5-17-3-7-20(8-4-17)28-15-18-10-12-23-13-11-18/h2-14H,15H2,1H3/b9-5+