butyl 2-[(2S)-1-(3-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-(3-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(3-nitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-(3-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(3-nitrobenzoyl)piperazin-2-yl]acetic acid butyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-2-3-9-26-15(21)11-14-16(22)18-7-8-19(14)17(23)12-5-4-6-13(10-12)20(24)25/h4-6,10,14H,2-3,7-9,11H2,1H3,(H,18,22)/t14-/m0/s1