3-azanyl-3-[2-(3-nitrophenyl)pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-azanyl-3-[2-(3-nitrophenyl)pyrimidin-5-yl]propanoic acid Openeye Name: 3-amino-3-[2-(3-nitrophenyl)pyrimidin-5-yl]propanoic acid CAS Name: 3-amino-3-[2-(3-nitrophenyl)-5-pyrimidinyl]propanoic acid IUPAC Name: 3-amino-3-[2-(3-nitrophenyl)pyrimidin-5-yl]propanoic acid Traditional Name: 3-amino-3-[2-(3-nitrophenyl)pyrimidin-5-yl]propionic acid Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=C(C=N2)C(CC(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=C(C=N2)C(CC(=O)O)N

InChI

InChI=1S/C13H12N4O4/c14-11(5-12(18)19)9-6-15-13(16-7-9)8-2-1-3-10(4-8)17(20)21/h1-4,6-7,11H,5,14H2,(H,18,19)