methyl 2-isocyano-5-nitro-benzoate

Systemtic Name: methyl 2-isocyano-5-nitro-benzoate Openeye Name: methyl 2-isocyano-5-nitro-benzoate CAS Name: 2-isocyano-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-isocyano-5-nitrobenzoate Traditional Name: 2-isocyano-5-nitro-benzoic acid methyl ester Formula: C9H6N2O4 MolecularWeight: 206.15494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O4/c1-10-8-4-3-6(11(13)14)5-7(8)9(12)15-2/h3-5H,2H3