4-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C16H13N5O5 MolecularWeight: 355.30492

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N5O5/c22-16(23)10-3-5-11(6-4-10)20-15-13(21(24)25)14(18-9-19-15)17-8-12-2-1-7-26-12/h1-7,9H,8H2,(H,22,23)(H2,17,18,19,20)