(E)-4-(4-nitro-3-phenylmethoxy-phenyl)but-3-en-2-one

Systemtic Name: (E)-4-(4-nitro-3-phenylmethoxy-phenyl)but-3-en-2-one Openeye Name: (E)-4-(3-benzyloxy-4-nitro-phenyl)but-3-en-2-one CAS Name: (E)-4-(4-nitro-3-phenylmethoxyphenyl)-3-buten-2-one IUPAC Name: (E)-4-(4-nitro-3-phenylmethoxyphenyl)but-3-en-2-one Traditional Name: (E)-4-(3-benzoxy-4-nitro-phenyl)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(=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO4/c1-13(19)7-8-14-9-10-16(18(20)21)17(11-14)22-12-15-5-3-2-4-6-15/h2-11H,12H2,1H3/b8-7+