2-[(2-chloranyl-5-nitro-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(2-chloranyl-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-chloro-5-nitro-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-chloro-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-chloro-5-nitro-pyrimidin-4-yl)amino]benzoic acid Formula: C11H7ClN4O4 MolecularWeight: 294.65068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7ClN4O4/c12-11-13-5-8(16(19)20)9(15-11)14-7-4-2-1-3-6(7)10(17)18/h1-5H,(H,17,18)(H,13,14,15)