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

Systemtic Name: 3-methyl-1-(2-nitro-5-phenylmethoxy-phenyl)but-2-en-1-one Openeye Name: 1-(5-benzyloxy-2-nitro-phenyl)-3-methyl-but-2-en-1-one CAS Name: 3-methyl-1-(2-nitro-5-phenylmethoxyphenyl)-2-buten-1-one IUPAC Name: 3-methyl-1-(2-nitro-5-phenylmethoxyphenyl)but-2-en-1-one Traditional Name: 1-(5-benzoxy-2-nitro-phenyl)-3-methyl-but-2-en-1-one Formula: C18H17NO4 MolecularWeight: 311.33188

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-13(2)10-18(20)16-11-15(8-9-17(16)19(21)22)23-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3