(E)-3-(3,4-dimethoxy-3-nitro-4-oxidanyl-cyclohexa-1,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dimethoxy-3-nitro-4-oxidanyl-cyclohexa-1,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3,4-dimethoxy-3-nitro-cyclohexa-1,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3,4-dimethoxy-3-nitro-1-cyclohexa-1,5-dienyl)-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3,4-dimethoxy-3-nitrocyclohexa-1,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3,4-dimethoxy-3-nitro-cyclohexa-1,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(=CC1([N+](=O)[O-])OC)C=CC(=O)C2=CC=CC=C2)O

Isomeric SMILES

COC1(C=CC(=CC1([N+](=O)[O-])OC)/C=C/C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C17H17NO6/c1-23-16(18(21)22)12-13(10-11-17(16,20)24-2)8-9-15(19)14-6-4-3-5-7-14/h3-12,20H,1-2H3/b9-8+