1-[4-(4-azidophenyl)butanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[4-(4-azidophenyl)butanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[4-(4-azidophenyl)butanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[4-(4-azidophenyl)-1-oxobutoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[4-(4-azidophenyl)butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[4-(4-azidophenyl)butanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C14H14N4O7S MolecularWeight: 382.34856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCCC2=CC=C(C=C2)N=[N+]=[N-])S(=O)(=O)O

InChI

InChI=1S/C14H14N4O7S/c15-17-16-10-6-4-9(5-7-10)2-1-3-13(20)25-18-12(19)8-11(14(18)21)26(22,23)24/h4-7,11H,1-3,8H2,(H,22,23,24)