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

Systemtic Name: methyl 3-[2-[3-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(4-methyl-3-nitro-benzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-methyl-3-nitrobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(4-methyl-3-nitro-benzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O5/c1-16-9-12-19(15-22(16)26(29)30)23(27)25-21-8-4-6-18(14-21)11-10-17-5-3-7-20(13-17)24(28)31-2/h3-9,12-15H,1-2H3,(H,25,27)