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

Systemtic Name: methyl 3-[2-[3-[(3-methyl-2-nitro-phenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3-methyl-2-nitro-benzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-methyl-2-nitrobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

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