methyl 3-nitro-5-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-[2-(2-pyridinyl)ethynyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[3-(2-pyridin-2-ylethynyl)phenyl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[3-[2-(2-pyridyl)ethynyl]phenyl]carbamoyl]benzoic acid methyl ester Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O5/c1-30-22(27)17-12-16(13-20(14-17)25(28)29)21(26)24-19-7-4-5-15(11-19)8-9-18-6-2-3-10-23-18/h2-7,10-14H,1H3,(H,24,26)