methyl (Z)-4-(2-nitroimidazol-1-yl)but-2-enoate

Systemtic Name: methyl (Z)-4-(2-nitroimidazol-1-yl)but-2-enoate Openeye Name: methyl (Z)-4-(2-nitroimidazol-1-yl)but-2-enoate CAS Name: (Z)-4-(2-nitro-1-imidazolyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(2-nitroimidazol-1-yl)but-2-enoate Traditional Name: (Z)-4-(2-nitroimidazol-1-yl)but-2-enoic acid methyl ester Formula: C8H9N3O4 MolecularWeight: 211.17476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C\CN1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O4/c1-15-7(12)3-2-5-10-6-4-9-8(10)11(13)14/h2-4,6H,5H2,1H3/b3-2-