2-[1-[(4-nitrophenyl)methoxycarbonyloxy]butylamino]-3-sulfanyl-propanoate

Systemtic Name: 2-[1-[(4-nitrophenyl)methoxycarbonyloxy]butylamino]-3-sulfanyl-propanoate Openeye Name: 2-[1-[(4-nitrophenyl)methoxycarbonyloxy]butylamino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[1-[(4-nitrophenyl)methoxy-oxomethoxy]butylamino]propanoate IUPAC Name: 2-[1-[(4-nitrophenyl)methoxycarbonyloxy]butylamino]-3-sulfanylpropanoate Traditional Name: 3-mercapto-2-[1-(4-nitrobenzyl)oxycarbonyloxybutylamino]propionate Formula: C15H19N2O7S- MolecularWeight: 371.38556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(CS)C(=O)[O-])OC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC(NC(CS)C(=O)[O-])OC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O7S/c1-2-3-13(16-12(9-25)14(18)19)24-15(20)23-8-10-4-6-11(7-5-10)17(21)22/h4-7,12-13,16,25H,2-3,8-9H2,1H3,(H,18,19)/p-1