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

Systemtic Name: butyl 2-[(2S)-1-[2-(4-nitrophenoxy)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-[2-(4-nitrophenoxy)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(4-nitrophenoxy)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-[2-(4-nitrophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-(4-nitrophenoxy)acetyl]piperazin-2-yl]acetic acid butyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O7/c1-2-3-10-27-17(23)11-15-18(24)19-8-9-20(15)16(22)12-28-14-6-4-13(5-7-14)21(25)26/h4-7,15H,2-3,8-12H2,1H3,(H,19,24)/t15-/m0/s1