4-[(4-nitrophenyl)methoxycarbonylamino]butanethioic S-acid

Systemtic Name: 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioic S-acid Openeye Name: 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioic S-acid CAS Name: 4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]butanethioic S-acid IUPAC Name: 4-[(4-nitrophenyl)methoxycarbonylamino]butanethioic S-acid Traditional Name: 4-[(4-nitrobenzyl)oxycarbonylamino]thiobutyric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NCCCC(=O)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NCCCC(=O)S)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c15-11(20)2-1-7-13-12(16)19-8-9-3-5-10(6-4-9)14(17)18/h3-6H,1-2,7-8H2,(H,13,16)(H,15,20)