[azanyl-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid

Systemtic Name: [azanyl-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid Openeye Name: [amino-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxo-1-piperidyl]phosphoryl]sulfamic acid CAS Name: [amino-[3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-oxo-1-piperidinyl]phosphoryl]sulfamic acid IUPAC Name: [amino-[3-[(4-nitrophenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]phosphoryl]sulfamic acid Traditional Name: [amino-[2-keto-3-[(4-nitrobenzyl)oxycarbonylamino]piperidino]phosphoryl]sulfamic acid Formula: C13H18N5O9PS MolecularWeight: 451.348881

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)P(=O)(N)NS(=O)(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(C(=O)N(C1)P(=O)(N)NS(=O)(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N5O9PS/c14-28(23,16-29(24,25)26)17-7-1-2-11(12(17)19)15-13(20)27-8-9-3-5-10(6-4-9)18(21)22/h3-6,11H,1-2,7-8H2,(H,15,20)(H3,14,16,23)(H,24,25,26)