methyl 4-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C19H14N4O7 MolecularWeight: 410.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H14N4O7/c1-27-19(24)11-2-5-13(6-3-11)30-18-16(23(25)26)17(20-9-21-18)22-12-4-7-14-15(8-12)29-10-28-14/h2-9H,10H2,1H3,(H,20,21,22)