methyl (Z)-4-(2-methyl-4-nitro-imidazol-1-yl)but-2-enoate

Systemtic Name: methyl (Z)-4-(2-methyl-4-nitro-imidazol-1-yl)but-2-enoate Openeye Name: methyl (Z)-4-(2-methyl-4-nitro-imidazol-1-yl)but-2-enoate CAS Name: (Z)-4-(2-methyl-4-nitro-1-imidazolyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(2-methyl-4-nitroimidazol-1-yl)but-2-enoate Traditional Name: (Z)-4-(2-methyl-4-nitro-imidazol-1-yl)but-2-enoic acid methyl ester Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC=CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1C/C=C\C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O4/c1-7-10-8(12(14)15)6-11(7)5-3-4-9(13)16-2/h3-4,6H,5H2,1-2H3/b4-3-