(2-nitrophenyl)methyl 4-azanyl-3-methylsulfanyl-benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-azanyl-3-methylsulfanyl-benzoate Openeye Name: (2-nitrophenyl)methyl 4-amino-3-methylsulfanyl-benzoate CAS Name: 4-amino-3-(methylthio)benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-amino-3-methylsulfanylbenzoate Traditional Name: 4-amino-3-(methylthio)benzoic acid (2-nitrobenzyl) ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])N

Isomeric SMILES

CSC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])N

InChI

InChI=1S/C15H14N2O4S/c1-22-14-8-10(6-7-12(14)16)15(18)21-9-11-4-2-3-5-13(11)17(19)20/h2-8H,9,16H2,1H3