methyl 5-azido-2-nitro-benzoate

Systemtic Name: methyl 5-azido-2-nitro-benzoate Openeye Name: methyl 5-azido-2-nitro-benzoate CAS Name: 5-azido-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-azido-2-nitrobenzoate Traditional Name: 5-azido-2-nitro-benzoic acid methyl ester Formula: C8H6N4O4 MolecularWeight: 222.15764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N4O4/c1-16-8(13)6-4-5(10-11-9)2-3-7(6)12(14)15/h2-4H,1H3