methyl 2-(cyanomethyl)-5-nitro-benzoate

Systemtic Name: methyl 2-(cyanomethyl)-5-nitro-benzoate Openeye Name: methyl 2-(cyanomethyl)-5-nitro-benzoate CAS Name: 2-(cyanomethyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(cyanomethyl)-5-nitrobenzoate Traditional Name: 2-(cyanomethyl)-5-nitro-benzoic acid methyl ester Formula: C10H8N2O4 MolecularWeight: 220.18152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O4/c1-16-10(13)9-6-8(12(14)15)3-2-7(9)4-5-11/h2-3,6H,4H2,1H3