4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-chloro-5-nitro-4-pyrimidinyl)amino]benzoate IUPAC Name: 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]benzoate Formula: C11H6ClN4O4- MolecularWeight: 293.64274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

InChI

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