[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O6/c1-14(24)20-8-10-22(11-9-20)18(25)13-29-19(26)15-4-5-16(17(12-15)23(27)28)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3