tert-butyl 4-azanyl-2-methyl-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-azanyl-2-methyl-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-amino-2-methyl-3-[(4-nitrophenyl)methyl]-4-oxo-butanoate CAS Name: 4-amino-2-methyl-3-[(4-nitrophenyl)methyl]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-2-methyl-3-[(4-nitrophenyl)methyl]-4-oxobutanoate Traditional Name: 4-amino-4-keto-2-methyl-3-(4-nitrobenzyl)butyric acid tert-butyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-10(15(20)23-16(2,3)4)13(14(17)19)9-11-5-7-12(8-6-11)18(21)22/h5-8,10,13H,9H2,1-4H3,(H2,17,19)