methyl 3-cyano-5-nitro-benzoate

Systemtic Name: methyl 3-cyano-5-nitro-benzoate Openeye Name: methyl 3-cyano-5-nitro-benzoate CAS Name: 3-cyano-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-cyano-5-nitrobenzoate Traditional Name: 3-cyano-5-nitro-benzoic acid methyl ester Formula: C9H6N2O4 MolecularWeight: 206.15494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O4/c1-15-9(12)7-2-6(5-10)3-8(4-7)11(13)14/h2-4H,1H3