4-[2-(azidomethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[2-(azidomethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[2-(azidomethyl)-5-oxo-pyrrolidin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[2-(azidomethyl)-5-oxo-1-pyrrolidinyl]-3-nitrobenzoic acid IUPAC Name: 4-[2-(azidomethyl)-5-oxopyrrolidin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[2-(azidomethyl)-5-keto-pyrrolidino]-3-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=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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