methyl 2-[[5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[5-nitro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H21N5O7 MolecularWeight: 455.42074

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O7/c1-30-16-9-12(10-17(31-2)18(16)32-3)23-21-22-11-15(26(28)29)19(25-21)24-14-8-6-5-7-13(14)20(27)33-4/h5-11H,1-4H3,(H2,22,23,24,25)