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

Systemtic Name: methyl 2-[(6-cyclohexyloxy-5-nitro-pyrimidin-4-yl)-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[(6-cyclohexyloxy-5-nitro-4-pyrimidinyl)-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-methylamino]benzoate Traditional Name: 2-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)OC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)OC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c1-22(15-11-7-6-10-14(15)19(24)27-2)17-16(23(25)26)18(21-12-20-17)28-13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3