propan-2-yl 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxybenzoate

Systemtic Name: propan-2-yl 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxybenzoate Openeye Name: isopropyl 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxybenzoate CAS Name: 4-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxybenzoate Traditional Name: 4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxybenzoic acid isopropyl ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5/c1-10(2)25-16(22)11-3-7-13(8-4-11)26-17-18-9-14(21(23)24)15(20-17)19-12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,19,20)