(E)-1-(3,4-dimethylphenyl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dimethylphenyl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dimethylphenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dimethylphenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dimethylphenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dimethylphenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-11-4-6-14(8-12(11)2)16(20)7-5-13-9-15(19(22)23)18(21)17(10-13)24-3/h4-10,21H,1-3H3/b7-5+