[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-phenylprop-2-ynoate

Systemtic Name: [2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] 3-phenylprop-2-ynoate Openeye Name: [2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxo-ethyl] 3-phenylprop-2-ynoate CAS Name: 3-phenyl-2-propynoic acid [2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl] 3-phenylprop-2-ynoate Traditional Name: 3-phenylpropiolic acid [2-(tert-butylamino)-2-keto-1-(4-nitrophenyl)ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-21(2,3)22-20(25)19(16-10-12-17(13-11-16)23(26)27)28-18(24)14-9-15-7-5-4-6-8-15/h4-8,10-13,19H,1-3H3,(H,22,25)