methyl 4-[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[6-[(2-ethylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-(2-ethylanilino)-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(2-ethylanilino)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-3-13-6-4-5-7-16(13)23-18-17(24(26)27)19(22-12-21-18)29-15-10-8-14(9-11-15)20(25)28-2/h4-12H,3H2,1-2H3,(H,21,22,23)