methyl 2-[[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(5-chloro-2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(5-chloro-2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H20ClN5O6 MolecularWeight: 473.8664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C21H20ClN5O6/c1-26(15-8-6-5-7-12(15)21(28)33-4)20-18(27(29)30)19(23-11-24-20)25-14-9-13(22)16(31-2)10-17(14)32-3/h5-11H,1-4H3,(H,23,24,25)