methyl 3-[(4-methylsulfanylphenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-methylsulfanylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-methylsulfanylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(methylthio)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylsulfanylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(methylthio)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S/c1-23-16(20)11-7-10(8-13(9-11)18(21)22)15(19)17-12-3-5-14(24-2)6-4-12/h3-9H,1-2H3,(H,17,19)