1-[6-[(4-azido-2-nitro-phenyl)amino]hexanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[6-[(4-azido-2-nitro-phenyl)amino]hexanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[6-(4-azido-2-nitro-anilino)hexanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[6-(4-azido-2-nitroanilino)-1-oxohexoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[6-(4-azido-2-nitroanilino)hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[6-(4-azido-2-nitro-anilino)hexanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C16H18N6O9S MolecularWeight: 470.41392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C16H18N6O9S/c17-20-19-10-5-6-11(12(8-10)22(26)27)18-7-3-1-2-4-15(24)31-21-14(23)9-13(16(21)25)32(28,29)30/h5-6,8,13,18H,1-4,7,9H2,(H,28,29,30)