2-[[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-methyl-amino]ethyl benzoate

Systemtic Name: 2-[[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-methyl-amino]ethyl benzoate Openeye Name: 2-[[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxo-ethyl]-methyl-amino]ethyl benzoate CAS Name: benzoic acid 2-[[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-methylamino]ethyl ester IUPAC Name: 2-[[2-(tert-butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-methylamino]ethyl benzoate Traditional Name: benzoic acid 2-[[2-(tert-butylamino)-2-keto-1-(4-nitrophenyl)ethyl]-methyl-amino]ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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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)CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)23-20(26)19(16-10-12-18(13-11-16)25(28)29)24(4)14-15-30-21(27)17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,23,26)