pentyl 2-[1-(4-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-(4-nitrophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(4-nitrobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-nitrophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(4-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-nitrobenzoyl)piperazin-2-yl]acetic acid amyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6/c1-2-3-4-11-27-16(22)12-15-17(23)19-9-10-20(15)18(24)13-5-7-14(8-6-13)21(25)26/h5-8,15H,2-4,9-12H2,1H3,(H,19,23)