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

Systemtic Name: methyl 2-[(6-cyclohexyloxy-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[[6-(cyclohexoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[(6-cyclohexyloxy-5-nitro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-cyclohexyloxy-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[[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=CC=C1NC2=C(C(=NC=N2)OC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)OC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-26-18(23)13-9-5-6-10-14(13)21-16-15(22(24)25)17(20-11-19-16)27-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,19,20,21)