[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)ethanoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)ethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c1-11(2)17(4,10-18)19-16(22)12(3)25-15(21)9-13-7-5-6-8-14(13)20(23)24/h5-8,11-12H,9H2,1-4H3,(H,19,22)