O3-[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7/c1-10(2)18(4,9-19)20-15(22)11(3)28-17(24)13-6-12(16(23)27-5)7-14(8-13)21(25)26/h6-8,10-11H,1-5H3,(H,20,22)