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

Systemtic Name: methyl 4-[(6-cyclohexyloxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[(6-cyclohexyloxy-5-nitro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-26-18(23)12-7-9-13(10-8-12)21-16-15(22(24)25)17(20-11-19-16)27-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,19,20,21)