methyl 3-[(4-methylsulfanylphenyl)amino]-4-nitro-benzoate

Systemtic Name: methyl 3-[(4-methylsulfanylphenyl)amino]-4-nitro-benzoate Openeye Name: methyl 3-(4-methylsulfanylanilino)-4-nitro-benzoate CAS Name: 3-[4-(methylthio)anilino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfanylanilino)-4-nitrobenzoate Traditional Name: 3-[4-(methylthio)anilino]-4-nitro-benzoic acid methyl ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H14N2O4S/c1-21-15(18)10-3-8-14(17(19)20)13(9-10)16-11-4-6-12(22-2)7-5-11/h3-9,16H,1-2H3