methyl 4-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])C

InChI

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