methyl 3-(azidomethyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(azidomethyl)-5-nitro-benzoate Openeye Name: methyl 3-(azidomethyl)-5-nitro-benzoate CAS Name: 3-(azidomethyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(azidomethyl)-5-nitrobenzoate Traditional Name: 3-(azidomethyl)-5-nitro-benzoic acid methyl ester Formula: C9H8N4O4 MolecularWeight: 236.18422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O4/c1-17-9(14)7-2-6(5-11-12-10)3-8(4-7)13(15)16/h2-4H,5H2,1H3