N-tert-butyl-N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-phenyl-prop-2-ynamide

Systemtic Name: N-tert-butyl-N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-phenyl-prop-2-ynamide Openeye Name: N-tert-butyl-N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxo-ethyl]-3-phenyl-prop-2-ynamide CAS Name: N-tert-butyl-N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-3-phenyl-2-propynamide IUPAC Name: N-tert-butyl-N-[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-3-phenylprop-2-ynamide Traditional Name: N-tert-butyl-N-[2-(tert-butylamino)-2-keto-1-(4-nitrophenyl)ethyl]-3-phenyl-propiolamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C(=O)C#CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C(=O)C#CC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C25H29N3O4/c1-24(2,3)26-23(30)22(19-13-15-20(16-14-19)28(31)32)27(25(4,5)6)21(29)17-12-18-10-8-7-9-11-18/h7-11,13-16,22H,1-6H3,(H,26,30)