3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-(methylamino)-5-nitro-pyrimidin-2-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=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

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