4-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(5-nitro-6-propan-2-yloxy-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[(5-nitro-6-propan-2-yloxy-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(5-nitro-6-propan-2-yloxypyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[(6-isopropoxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H14N4O5/c1-8(2)23-13-11(18(21)22)12(15-7-16-13)17-10-5-3-9(4-6-10)14(19)20/h3-8H,1-2H3,(H,19,20)(H,15,16,17)