3,5,5-trimethyl-2-(4-nitrophenyl)imidazol-4-one

Systemtic Name: 3,5,5-trimethyl-2-(4-nitrophenyl)imidazol-4-one Openeye Name: 3,5,5-trimethyl-2-(4-nitrophenyl)imidazol-4-one CAS Name: 3,5,5-trimethyl-2-(4-nitrophenyl)-4-imidazolone IUPAC Name: 3,5,5-trimethyl-2-(4-nitrophenyl)imidazol-4-one Traditional Name: 3,5,5-trimethyl-2-(4-nitrophenyl)-2-imidazolin-4-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1(C(=O)N(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C12H13N3O3/c1-12(2)11(16)14(3)10(13-12)8-4-6-9(7-5-8)15(17)18/h4-7H,1-3H3