3-[2-(azidomethyl)-5-oxidanylidene-pyrrolidin-1-yl]-2-nitro-benzoic acid

Systemtic Name: 3-[2-(azidomethyl)-5-oxidanylidene-pyrrolidin-1-yl]-2-nitro-benzoic acid Openeye Name: 3-[2-(azidomethyl)-5-oxo-pyrrolidin-1-yl]-2-nitro-benzoic acid CAS Name: 3-[2-(azidomethyl)-5-oxo-1-pyrrolidinyl]-2-nitrobenzoic acid IUPAC Name: 3-[2-(azidomethyl)-5-oxopyrrolidin-1-yl]-2-nitrobenzoic acid Traditional Name: 3-[2-(azidomethyl)-5-keto-pyrrolidino]-2-nitro-benzoic acid Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CN=[N+]=[N-])C2=CC=CC(=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(=O)N(C1CN=[N+]=[N-])C2=CC=CC(=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11N5O5/c13-15-14-6-7-4-5-10(18)16(7)9-3-1-2-8(12(19)20)11(9)17(21)22/h1-3,7H,4-6H2,(H,19,20)