2,2-dimethylpropyl (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate

Systemtic Name: 2,2-dimethylpropyl (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate Openeye Name: 2,2-dimethylpropyl (2S)-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-hydroxy-5-nitro-benzyl)amino]-3-phenyl-propionic acid neopentyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)COC(=O)[C@H](CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)14-28-20(25)18(11-15-7-5-4-6-8-15)22-13-16-12-17(23(26)27)9-10-19(16)24/h4-10,12,18,22,24H,11,13-14H2,1-3H3/t18-/m0/s1