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

Systemtic Name: 3-[6-[(4-azido-2-nitro-phenyl)amino]hexanoyloxycarbonyl]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 3-[6-(4-azido-2-nitro-anilino)hexanoyloxycarbonyl]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 3-[[6-(4-azido-2-nitroanilino)-1-oxohexoxy]-oxomethyl]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 3-[6-(4-azido-2-nitroanilino)hexanoyloxycarbonyl]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 3-[6-(4-azido-2-nitro-anilino)hexanoyloxycarbonyl]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C17H18N6O10S MolecularWeight: 498.42402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O10S/c18-22-21-10-5-6-11(12(8-10)23(28)29)19-7-3-1-2-4-14(25)33-16(27)17(34(30,31)32)9-13(24)20-15(17)26/h5-6,8,19H,1-4,7,9H2,(H,20,24,26)(H,30,31,32)