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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-tert-butylphenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-tert-butylphenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-tert-butylphenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-tert-butylphenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-20(2,3)15-8-6-14(7-9-15)17(22)10-5-13-11-16(21(24)25)19(23)18(12-13)26-4/h5-12,23H,1-4H3/b10-5+