(E)-3-nitro-4-(2-phenylmethoxyphenyl)but-3-en-2-one

Systemtic Name: (E)-3-nitro-4-(2-phenylmethoxyphenyl)but-3-en-2-one Openeye Name: (E)-4-(2-benzyloxyphenyl)-3-nitro-but-3-en-2-one CAS Name: (E)-3-nitro-4-(2-phenylmethoxyphenyl)-3-buten-2-one IUPAC Name: (E)-3-nitro-4-(2-phenylmethoxyphenyl)but-3-en-2-one Traditional Name: (E)-4-(2-benzoxyphenyl)-3-nitro-but-3-en-2-one Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1OCC2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4/c1-13(19)16(18(20)21)11-15-9-5-6-10-17(15)22-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3/b16-11+