methyl 3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-methyl-benzoate Openeye Name: methyl 3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-methyl-benzoate CAS Name: 3-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxy-4-methylbenzoate Traditional Name: 3-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxy-4-methyl-benzoic acid methyl ester Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-9-3-4-10(15(21)24-2)7-13(9)25-16-17-8-12(20(22)23)14(19-16)18-11-5-6-11/h3-4,7-8,11H,5-6H2,1-2H3,(H,17,18,19)