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

Systemtic Name: methyl 2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-17(2)15(21)11-18-6-8-19(9-7-18)14-5-4-12(20(23)24)10-13(14)16(22)25-3/h4-5,10H,6-9,11H2,1-3H3