[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c1-11(19)16-5-7-17(8-6-16)14(20)10-24-15(21)12-3-2-4-13(9-12)18(22)23/h2-4,9H,5-8,10H2,1H3