4-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(3-chloro-4-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H11ClFN5O4 MolecularWeight: 403.751743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClFN5O4/c18-12-7-11(5-6-13(12)19)23-16-14(24(27)28)15(20-8-21-16)22-10-3-1-9(2-4-10)17(25)26/h1-8H,(H,25,26)(H2,20,21,22,23)