3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3H-2-benzofuran-1-one Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3H-isobenzofuran-1-one CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-3H-2-benzofuran-1-one Traditional Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]phthalide Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5/c1-9-15-8-12(17(19)20)16(9)6-7-21-14-11-5-3-2-4-10(11)13(18)22-14/h2-5,8,14H,6-7H2,1H3