1-(2-nitroimidazol-1-yl)-4-phenyl-butan-2-one

Systemtic Name: 1-(2-nitroimidazol-1-yl)-4-phenyl-butan-2-one Openeye Name: 1-(2-nitroimidazol-1-yl)-4-phenyl-butan-2-one CAS Name: 1-(2-nitro-1-imidazolyl)-4-phenyl-2-butanone IUPAC Name: 1-(2-nitroimidazol-1-yl)-4-phenylbutan-2-one Traditional Name: 1-(2-nitroimidazol-1-yl)-4-phenyl-butan-2-one Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)CN2C=CN=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)CN2C=CN=C2[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O3/c17-12(7-6-11-4-2-1-3-5-11)10-15-9-8-14-13(15)16(18)19/h1-5,8-9H,6-7,10H2