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

Systemtic Name: 2-[[5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C20H19N5O7 MolecularWeight: 441.39416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7/c1-30-15-8-11(9-16(31-2)17(15)32-3)22-20-21-10-14(25(28)29)18(24-20)23-13-7-5-4-6-12(13)19(26)27/h4-10H,1-3H3,(H,26,27)(H2,21,22,23,24)