(E)-1-(5-methyl-3-nitro-2-oxidanyl-phenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(5-methyl-3-nitro-2-oxidanyl-phenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxyphenyl)-1-(2-hydroxy-5-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(2-hydroxy-5-methyl-3-nitrophenyl)-3-(4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(2-hydroxy-5-methyl-3-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-benzoxyphenyl)-1-(2-hydroxy-5-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C23H19NO5 MolecularWeight: 389.40066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO5/c1-16-13-20(23(26)21(14-16)24(27)28)22(25)12-9-17-7-10-19(11-8-17)29-15-18-5-3-2-4-6-18/h2-14,26H,15H2,1H3/b12-9+