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

Systemtic Name: methyl 2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[2-(butylamino)-2-keto-ethyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5/c1-3-4-7-19-17(23)13-20-8-10-21(11-9-20)16-6-5-14(22(25)26)12-15(16)18(24)27-2/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,19,23)