2-azanyl-2-chloranyl-2-(5-nitropyrimidin-4-yl)ethanoic acid

Systemtic Name: 2-azanyl-2-chloranyl-2-(5-nitropyrimidin-4-yl)ethanoic acid Openeye Name: 2-amino-2-chloro-2-(5-nitropyrimidin-4-yl)acetic acid CAS Name: 2-amino-2-chloro-2-(5-nitro-4-pyrimidinyl)acetic acid IUPAC Name: 2-amino-2-chloro-2-(5-nitropyrimidin-4-yl)acetic acid Traditional Name: 2-amino-2-chloro-2-(5-nitropyrimidin-4-yl)acetic acid Formula: C6H5ClN4O4 MolecularWeight: 232.5813

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC=N1)C(C(=O)O)(N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=NC=N1)C(C(=O)O)(N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H5ClN4O4/c7-6(8,5(12)13)4-3(11(14)15)1-9-2-10-4/h1-2H,8H2,(H,12,13)