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

Systemtic Name: propyl 2-[(2S)-1-[(2S)-2-(2-nitrophenoxy)propanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[(2S)-1-[(2S)-2-(2-nitrophenoxy)propanoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(2S)-2-(2-nitrophenoxy)-1-oxopropyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-1-[(2S)-2-(2-nitrophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[(2S)-2-(2-nitrophenoxy)propanoyl]piperazin-2-yl]acetic acid propyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-3-10-27-16(22)11-14-17(23)19-8-9-20(14)18(24)12(2)28-15-7-5-4-6-13(15)21(25)26/h4-7,12,14H,3,8-11H2,1-2H3,(H,19,23)/t12-,14-/m0/s1