methyl 4-[2-(azidomethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(azidomethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[2-(azidomethyl)-5-oxo-pyrrolidin-1-yl]-3-nitro-benzoate CAS Name: 4-[2-(azidomethyl)-5-oxo-1-pyrrolidinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(azidomethyl)-5-oxopyrrolidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[2-(azidomethyl)-5-keto-pyrrolidino]-3-nitro-benzoic acid methyl ester Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C(CCC2=O)CN=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C(CCC2=O)CN=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-23-13(20)8-2-4-10(11(6-8)18(21)22)17-9(7-15-16-14)3-5-12(17)19/h2,4,6,9H,3,5,7H2,1H3