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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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