methyl 3-[2-[3-[(5-nitrothiophen-2-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(5-nitrothiophen-2-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]ethynyl]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#CC2=CC(=CC=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

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