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

Systemtic Name: methyl 5-nitro-2-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[2-keto-2-(propylamino)ethyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5/c1-3-6-18-16(22)12-19-7-9-20(10-8-19)15-5-4-13(21(24)25)11-14(15)17(23)26-2/h4-5,11H,3,6-10,12H2,1-2H3,(H,18,22)