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

Systemtic Name: 2-[4-(2-methyl-4-nitro-imidazol-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-methyl-4-nitro-imidazol-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-methyl-4-nitro-1-imidazolyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-methyl-4-nitroimidazol-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-methyl-4-nitro-imidazol-1-yl)butyl]isoindoline-1,3-quinone Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4/c1-11-17-14(20(23)24)10-18(11)8-4-5-9-19-15(21)12-6-2-3-7-13(12)16(19)22/h2-3,6-7,10H,4-5,8-9H2,1H3