ethyl 3-nitro-5-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-[2-keto-2-(propylamino)ethyl]piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H26N4O6/c1-3-5-20-17(24)13-21-6-8-22(9-7-21)18(25)14-10-15(19(26)29-4-2)12-16(11-14)23(27)28/h10-12H,3-9,13H2,1-2H3,(H,20,24)