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

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

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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