4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C12H11N5O4 MolecularWeight: 289.24684

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H11N5O4/c1-13-10-9(17(20)21)11(15-6-14-10)16-8-4-2-7(3-5-8)12(18)19/h2-6H,1H3,(H,18,19)(H2,13,14,15,16)