methyl 4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-[(5-methyl-3-isoxazolyl)amino]-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C16H13N5O6 MolecularWeight: 371.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6/c1-9-7-12(20-27-9)19-14-13(21(23)24)15(18-8-17-14)26-11-5-3-10(4-6-11)16(22)25-2/h3-8H,1-2H3,(H,17,18,19,20)