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

Systemtic Name: methyl 3-[2-[3-[(2-nitrophenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-nitrobenzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(2-nitrophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-nitrobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-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)18-8-4-6-16(14-18)12-13-17-7-5-9-19(15-17)24-22(26)20-10-2-3-11-21(20)25(28)29/h2-11,14-15H,1H3,(H,24,26)