2-[3-(2-methyl-4-nitro-imidazol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(2-methyl-4-nitro-imidazol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(2-methyl-4-nitro-imidazol-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(2-methyl-4-nitro-1-imidazolyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(2-methyl-4-nitroimidazol-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(2-methyl-4-nitro-imidazol-1-yl)propyl]isoindoline-1,3-quinone Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5/c1-9-16-13(19(23)24)8-17(9)6-10(20)7-18-14(21)11-4-2-3-5-12(11)15(18)22/h2-5,8,10,20H,6-7H2,1H3