(E)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)but-3-en-2-one

Systemtic Name: (E)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)but-3-en-2-one Openeye Name: (E)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)but-3-en-2-one CAS Name: (E)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)but-3-en-2-one Traditional Name: (E)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)but-3-en-2-one Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5/c1-7(13)3-4-8-5-9(12(15)16)11(14)10(6-8)17-2/h3-6,14H,1-2H3/b4-3+