3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-1-oxidanylidene-3H-2-benzofuran-4-carbaldehyde

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-1-oxidanylidene-3H-2-benzofuran-4-carbaldehyde Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-1-oxo-3H-isobenzofuran-4-carbaldehyde CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-1-oxo-3H-isobenzofuran-4-carboxaldehyde IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-1-oxo-3H-2-benzofuran-4-carbaldehyde Traditional Name: 1-keto-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]phthalan-4-carbaldehyde Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c1-9-16-7-12(18(21)22)17(9)5-6-23-15-13-10(8-19)3-2-4-11(13)14(20)24-15/h2-4,7-8,15H,5-6H2,1H3