methyl 3-[2-[3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-chloro-5-nitro-benzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-chloro-5-nitro-benzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C23H15ClN2O5 MolecularWeight: 434.8286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClN2O5/c1-31-23(28)17-6-2-4-15(12-17)8-9-16-5-3-7-18(13-16)25-22(27)20-14-19(26(29)30)10-11-21(20)24/h2-7,10-14H,1H3,(H,25,27)