5-[[2-[(3-carboxy-4-chloranyl-phenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[[2-[(3-carboxy-4-chloranyl-phenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(3-carboxy-4-chloro-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-(3-carboxy-4-chloroanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(3-carboxy-4-chloroanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-(3-carboxy-4-chloro-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]-2-chloro-benzoic acid Formula: C19H13Cl2N5O6 MolecularWeight: 478.24242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)O)NC3=CC(=C(C=C3)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)O)NC3=CC(=C(C=C3)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H13Cl2N5O6/c1-8-15(26(31)32)16(23-9-2-4-13(20)11(6-9)17(27)28)25-19(22-8)24-10-3-5-14(21)12(7-10)18(29)30/h2-7H,1H3,(H,27,28)(H,29,30)(H2,22,23,24,25)