2-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[4-(methylamino)-5-nitro-2-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(methylamino)-5-nitropyrimidin-2-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(methylamino)-5-nitro-pyrimidin-2-yl]amino]phenyl]acetic acid Formula: C13H13N5O4 MolecularWeight: 303.27342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O4/c1-14-12-10(18(21)22)7-15-13(17-12)16-9-4-2-8(3-5-9)6-11(19)20/h2-5,7H,6H2,1H3,(H,19,20)(H2,14,15,16,17)