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

Systemtic Name: 4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N4O5/c1-12(2)13-5-9-16(10-6-13)29-19-17(24(27)28)18(21-11-22-19)23-15-7-3-14(4-8-15)20(25)26/h3-12H,1-2H3,(H,25,26)(H,21,22,23)