(E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-pyrazolylmethyl)phenyl]-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Formula: C20H17N3O4 MolecularWeight: 363.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2[N+](=O)[O-])CN3C=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2[N+](=O)[O-])CN3C=CC=N3

InChI

InChI=1S/C20H17N3O4/c1-27-20-10-8-15(13-16(20)14-22-12-4-11-21-22)7-9-19(24)17-5-2-3-6-18(17)23(25)26/h2-13H,14H2,1H3/b9-7+