[1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-phenylprop-2-ynoate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-phenylprop-2-ynoate Openeye Name: [2-(benzylamino)-1-(4-nitrophenyl)-2-oxo-ethyl] 3-phenylprop-2-ynoate CAS Name: 3-phenyl-2-propynoic acid [1-(4-nitrophenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-1-(4-nitrophenyl)-2-oxoethyl] 3-phenylprop-2-ynoate Traditional Name: 3-phenylpropiolic acid [2-(benzylamino)-2-keto-1-(4-nitrophenyl)ethyl] ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O5/c27-22(16-11-18-7-3-1-4-8-18)31-23(20-12-14-21(15-13-20)26(29)30)24(28)25-17-19-9-5-2-6-10-19/h1-10,12-15,23H,17H2,(H,25,28)