methyl 2-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-4-14-9-7-8-12-24(14)19-17(25(27)28)18(21-13-22-19)23(2)16-11-6-5-10-15(16)20(26)29-3/h5-6,10-11,13-14H,4,7-9,12H2,1-3H3