methyl 4-imidazol-1-yl-3-nitro-benzoate

Systemtic Name: methyl 4-imidazol-1-yl-3-nitro-benzoate Openeye Name: methyl 4-imidazol-1-yl-3-nitro-benzoate CAS Name: 4-(1-imidazolyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-3-nitrobenzoate Traditional Name: 4-imidazol-1-yl-3-nitro-benzoic acid methyl ester Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

InChI

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