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

Systemtic Name: decyl 2-[1-(3-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-(3-nitrobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-nitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(3-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-nitrobenzoyl)piperazin-2-yl]acetic acid decyl ester Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O6/c1-2-3-4-5-6-7-8-9-15-32-21(27)17-20-22(28)24-13-14-25(20)23(29)18-11-10-12-19(16-18)26(30)31/h10-12,16,20H,2-9,13-15,17H2,1H3,(H,24,28)