4-(2-methylimidazol-1-yl)-3-nitro-benzoate

Systemtic Name: 4-(2-methylimidazol-1-yl)-3-nitro-benzoate Openeye Name: 4-(2-methylimidazol-1-yl)-3-nitro-benzoate CAS Name: 4-(2-methyl-1-imidazolyl)-3-nitrobenzoate IUPAC Name: 4-(2-methylimidazol-1-yl)-3-nitrobenzoate Traditional Name: 4-(2-methylimidazol-1-yl)-3-nitro-benzoate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CN1C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c1-7-12-4-5-13(7)9-3-2-8(11(15)16)6-10(9)14(17)18/h2-6H,1H3,(H,15,16)/p-1