2-(2-nitrophenyl)-2-(pyridin-3-ylcarbonylamino)ethanoic acid; 7H-purin-6-amine

Systemtic Name: 2-(2-nitrophenyl)-2-(pyridin-3-ylcarbonylamino)ethanoic acid; 7H-purin-6-amine Openeye Name: 2-(2-nitrophenyl)-2-(pyridine-3-carbonylamino)acetic acid; 7H-purin-6-amine CAS Name: 2-(2-nitrophenyl)-2-[[oxo(3-pyridinyl)methyl]amino]acetic acid; 7H-purin-6-amine IUPAC Name: 2-(2-nitrophenyl)-2-(pyridine-3-carbonylamino)acetic acid; 7H-purin-6-amine Traditional Name: 7H-adenine; 2-nicotinamido-2-(2-nitrophenyl)acetic acid Formula: C19H16N8O5 MolecularWeight: 436.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)O)NC(=O)C2=CN=CC=C2)[N+](=O)[O-].C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)O)NC(=O)C2=CN=CC=C2)[N+](=O)[O-].C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C14H11N3O5.C5H5N5/c18-13(9-4-3-7-15-8-9)16-12(14(19)20)10-5-1-2-6-11(10)17(21)22;6-4-3-5(9-1-7-3)10-2-8-4/h1-8,12H,(H,16,18)(H,19,20);1-2H,(H3,6,7,8,9,10)