methyl 3-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C23H16N2O5 MolecularWeight: 400.38354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O5/c1-30-23(27)19-6-2-4-16(14-19)8-9-17-5-3-7-20(15-17)24-22(26)18-10-12-21(13-11-18)25(28)29/h2-7,10-15H,1H3,(H,24,26)