2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[(4-nitro-1-imidazolyl)methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carboxylic acid Traditional Name: 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]-3-furoic acid Formula: C10H9N3O5 MolecularWeight: 251.19556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2C=C(N=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN2C=C(N=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H9N3O5/c1-6-8(10(14)15)2-7(18-6)3-12-4-9(11-5-12)13(16)17/h2,4-5H,3H2,1H3,(H,14,15)