3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-1H-quinazoline-2,4-dione CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-1H-quinazoline-2,4-quinone Formula: C14H13N5O4 MolecularWeight: 315.28412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4/c1-9-15-8-12(19(22)23)17(9)6-7-18-13(20)10-4-2-3-5-11(10)16-14(18)21/h2-5,8H,6-7H2,1H3,(H,16,21)