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2-nitro-5-(2-phenylsulfanylethylcarbamoyl)phenolate

2-nitro-5-(2-phenylsulfanylethylcarbamoyl)phenolate

Systemtic Name:2-nitro-5-(2-phenylsulfanylethylcarbamoyl)phenolate
Openeye Name:2-nitro-5-(2-phenylsulfanylethylcarbamoyl)phenolate
CAS Name:2-nitro-5-[oxo-[2-(phenylthio)ethylamino]methyl]phenolate
IUPAC Name:2-nitro-5-(2-phenylsulfanylethylcarbamoyl)phenolate
Traditional Name:2-nitro-5-[2-(phenylthio)ethylcarbamoyl]phenolate
Formula: C15H13N2O4S-
MolecularWeight: 317.33972
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]


Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-]


InChI

InChI=1S/C15H14N2O4S/c18-14-10-11(6-7-13(14)17(20)21)15(19)16-8-9-22-12-4-2-1-3-5-12/h1-7,10,18H,8-9H2,(H,16,19)/p-1


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