ethyl 2-(4-ethanoylpiperazin-1-yl)-3-nitro-benzoate

Systemtic Name: ethyl 2-(4-ethanoylpiperazin-1-yl)-3-nitro-benzoate Openeye Name: ethyl 2-(4-acetylpiperazin-1-yl)-3-nitro-benzoate CAS Name: 2-(4-acetyl-1-piperazinyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2-(4-acetylpiperazin-1-yl)-3-nitrobenzoate Traditional Name: 2-(4-acetylpiperazino)-3-nitro-benzoic acid ethyl ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C(=O)C

InChI

InChI=1S/C15H19N3O5/c1-3-23-15(20)12-5-4-6-13(18(21)22)14(12)17-9-7-16(8-10-17)11(2)19/h4-6H,3,7-10H2,1-2H3