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

Systemtic Name: methyl 3-[2-[3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(4-ethoxy-3-nitro-benzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-ethoxy-3-nitrobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(4-ethoxy-3-nitro-benzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=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/C25H20N2O6/c1-3-33-23-13-12-19(16-22(23)27(30)31)24(28)26-21-9-5-7-18(15-21)11-10-17-6-4-8-20(14-17)25(29)32-2/h4-9,12-16H,3H2,1-2H3,(H,26,28)