tert-butyl (2S)-4-azanyl-2-[(4-chloranyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (2S)-4-azanyl-2-[(4-chloranyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (2S)-4-amino-2-[(4-chloro-3-nitro-phenyl)methyleneamino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[(4-chloro-3-nitrophenyl)methylideneamino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-amino-2-[(4-chloro-3-nitrophenyl)methylideneamino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(4-chloro-3-nitro-benzylidene)amino]-4-keto-butyric acid tert-butyl ester Formula: C15H18ClN3O5 MolecularWeight: 355.77352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O5/c1-15(2,3)24-14(21)11(7-13(17)20)18-8-9-4-5-10(16)12(6-9)19(22)23/h4-6,8,11H,7H2,1-3H3,(H2,17,20)/t11-/m0/s1