2-[[5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-5-oxidanyl-benzoic acid

Systemtic Name: 2-[[5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 5-hydroxy-2-[[5-nitro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 5-hydroxy-2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C20H19N5O8 MolecularWeight: 457.39356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O8/c1-31-15-6-10(7-16(32-2)17(15)33-3)22-20-21-9-14(25(29)30)18(24-20)23-13-5-4-11(26)8-12(13)19(27)28/h4-9,26H,1-3H3,(H,27,28)(H2,21,22,23,24)