1-[2-[(3-azido-2-nitro-phenyl)carbonylamino]ethyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[2-[(3-azido-2-nitro-phenyl)carbonylamino]ethyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[2-[(3-azido-2-nitro-benzoyl)amino]ethyl]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[2-[[(3-azido-2-nitrophenyl)-oxomethyl]amino]ethyl]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[2-[(3-azido-2-nitrobenzoyl)amino]ethyl]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[2-[(3-azido-2-nitro-benzoyl)amino]ethyl]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C13H12N6O8S MolecularWeight: 412.33478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CCNC(=O)C2=C(C(=CC=C2)N=[N+]=[N-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)CCNC(=O)C2=C(C(=CC=C2)N=[N+]=[N-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H12N6O8S/c14-17-16-8-3-1-2-7(11(8)19(23)24)12(21)15-4-5-18-10(20)6-9(13(18)22)28(25,26)27/h1-3,9H,4-6H2,(H,15,21)(H,25,26,27)