methyl 3-(cyanomethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(cyanomethylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(cyanomethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(cyanomethylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(cyanomethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(cyanomethylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C11H9N3O5 MolecularWeight: 263.20626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O5/c1-19-11(16)8-4-7(10(15)13-3-2-12)5-9(6-8)14(17)18/h4-6H,3H2,1H3,(H,13,15)