N-[1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)prop-2-ynamide

Systemtic Name: N-[1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)prop-2-ynamide Openeye Name: N-benzyl-N-[2-(benzylamino)-1-(4-nitrophenyl)-2-oxo-ethyl]prop-2-ynamide CAS Name: N-[1-(4-nitrophenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)-2-propynamide IUPAC Name: N-benzyl-N-[2-(benzylamino)-1-(4-nitrophenyl)-2-oxoethyl]prop-2-ynamide Traditional Name: N-benzyl-N-[2-(benzylamino)-2-keto-1-(4-nitrophenyl)ethyl]propiolamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)N(CC1=CC=CC=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C#CC(=O)N(CC1=CC=CC=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H21N3O4/c1-2-23(29)27(18-20-11-7-4-8-12-20)24(21-13-15-22(16-14-21)28(31)32)25(30)26-17-19-9-5-3-6-10-19/h1,3-16,24H,17-18H2,(H,26,30)