methyl 3-nitro-5-[(2-phenylsulfanylphenyl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-phenylsulfanylphenyl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(2-phenylsulfanylphenyl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(phenylthio)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(2-phenylsulfanylphenyl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[[2-(phenylthio)phenyl]carbamoyl]benzoic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5S/c1-28-21(25)15-11-14(12-16(13-15)23(26)27)20(24)22-18-9-5-6-10-19(18)29-17-7-3-2-4-8-17/h2-13H,1H3,(H,22,24)