tert-butyl 5-azanyl-4-[(4-nitrophenyl)methyl]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-azanyl-4-[(4-nitrophenyl)methyl]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-amino-4-[(4-nitrophenyl)methyl]-5-oxo-pentanoate CAS Name: 5-amino-4-[(4-nitrophenyl)methyl]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-4-[(4-nitrophenyl)methyl]-5-oxopentanoate Traditional Name: 5-amino-5-keto-4-(4-nitrobenzyl)valeric acid tert-butyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-16(2,3)23-14(19)9-6-12(15(17)20)10-11-4-7-13(8-5-11)18(21)22/h4-5,7-8,12H,6,9-10H2,1-3H3,(H2,17,20)