(E)-1-(2-nitro-5-phenylmethoxy-phenyl)but-2-en-1-one

Systemtic Name: (E)-1-(2-nitro-5-phenylmethoxy-phenyl)but-2-en-1-one Openeye Name: (E)-1-(5-benzyloxy-2-nitro-phenyl)but-2-en-1-one CAS Name: (E)-1-(2-nitro-5-phenylmethoxyphenyl)-2-buten-1-one IUPAC Name: (E)-1-(2-nitro-5-phenylmethoxyphenyl)but-2-en-1-one Traditional Name: (E)-1-(5-benzoxy-2-nitro-phenyl)but-2-en-1-one Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C(=O)C1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4/c1-2-6-17(19)15-11-14(9-10-16(15)18(20)21)22-12-13-7-4-3-5-8-13/h2-11H,12H2,1H3/b6-2+