methyl 2-isocyanato-6-nitro-benzoate

Systemtic Name: methyl 2-isocyanato-6-nitro-benzoate Openeye Name: methyl 2-isocyanato-6-nitro-benzoate CAS Name: 2-isocyanato-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-isocyanato-6-nitrobenzoate Traditional Name: 2-isocyanato-6-nitro-benzoic acid methyl ester Formula: C9H6N2O5 MolecularWeight: 222.15434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O5/c1-16-9(13)8-6(10-5-12)3-2-4-7(8)11(14)15/h2-4H,1H3