methyl 3-[2-[3-[(4-ethoxy-5-methoxy-2-nitro-phenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(4-ethoxy-5-methoxy-2-nitro-phenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(4-ethoxy-5-methoxy-2-nitro-benzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(4-ethoxy-5-methoxy-2-nitrophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(4-ethoxy-5-methoxy-2-nitro-benzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H22N2O7 MolecularWeight: 474.46208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O7/c1-4-35-24-16-22(28(31)32)21(15-23(24)33-2)25(29)27-20-10-6-8-18(14-20)12-11-17-7-5-9-19(13-17)26(30)34-3/h5-10,13-16H,4H2,1-3H3,(H,27,29)