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

Systemtic Name: 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[(5-methyl-3-isoxazolyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C15H12N6O5 MolecularWeight: 356.29298

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C15H12N6O5/c1-8-6-11(20-26-8)19-14-12(21(24)25)13(16-7-17-14)18-10-4-2-9(3-5-10)15(22)23/h2-7H,1H3,(H,22,23)(H2,16,17,18,19,20)