(4-methylsulfanylphenyl)methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-azanyl-5-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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