butyl 2-[(2S)-1-[(2S)-2-(4-nitrophenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-[(2S)-2-(4-nitrophenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-[(2S)-2-(4-nitrophenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(2S)-2-(4-nitrophenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-[(2S)-2-(4-nitrophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[(2S)-2-(4-nitrophenoxy)propanoyl]piperazin-2-yl]acetic acid butyl ester Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)C(C)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O7/c1-3-4-11-28-17(23)12-16-18(24)20-9-10-21(16)19(25)13(2)29-15-7-5-14(6-8-15)22(26)27/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,20,24)/t13-,16-/m0/s1