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

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]isoindoline-1,3-quinone Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4/c1-9-15-8-12(18(21)22)16(9)6-7-17-13(19)10-4-2-3-5-11(10)14(17)20/h2-5,8H,6-7H2,1H3