methyl 4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H23N5O6/c1-31-17-9-4-14(12-18(17)32-2)10-11-23-20-19(27(29)30)21(25-13-24-20)26-16-7-5-15(6-8-16)22(28)33-3/h4-9,12-13H,10-11H2,1-3H3,(H2,23,24,25,26)