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

Systemtic Name: methyl 4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O7/c1-30-17-9-4-14(12-18(17)31-2)10-11-23-20-19(26(28)29)21(25-13-24-20)33-16-7-5-15(6-8-16)22(27)32-3/h4-9,12-13H,10-11H2,1-3H3,(H,23,24,25)