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

Systemtic Name: methyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(5-methyl-3-isoxazolyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C16H14N6O5 MolecularWeight: 370.31956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H14N6O5/c1-9-7-12(21-27-9)20-15-13(22(24)25)14(17-8-18-15)19-11-5-3-10(4-6-11)16(23)26-2/h3-8H,1-2H3,(H2,17,18,19,20,21)