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

Systemtic Name: ethyl 3-nitro-5-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O5S/c1-2-29-22(26)17-12-16(13-19(14-17)24(27)28)21(25)23-18-6-3-5-15(11-18)8-9-20-7-4-10-30-20/h3-7,10-14H,2H2,1H3,(H,23,25)