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

Systemtic Name: methyl 4-[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[6-(2-methoxy-5-methylanilino)-5-nitro-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(2-methoxy-5-methylanilino)-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 4-[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c1-12-4-9-16(28-2)15(10-12)23-18-17(24(26)27)19(22-11-21-18)30-14-7-5-13(6-8-14)20(25)29-3/h4-11H,1-3H3,(H,21,22,23)