methyl 3-nitro-5-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-(2-thiophen-2-ylethynyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]benzoic acid methyl ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c1-28-21(25)16-11-15(12-18(13-16)23(26)27)20(24)22-17-5-2-4-14(10-17)7-8-19-6-3-9-29-19/h2-6,9-13H,1H3,(H,22,24)