[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C15H16ClN3O6 MolecularWeight: 369.75704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O6/c1-10(20)17-4-6-18(7-5-17)14(21)9-25-15(22)12-3-2-11(16)8-13(12)19(23)24/h2-3,8H,4-7,9H2,1H3