methyl 2-[[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H15ClN4O5 MolecularWeight: 414.7992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C19H15ClN4O5/c1-11-9-12(7-8-14(11)20)29-18-16(24(26)27)17(21-10-22-18)23-15-6-4-3-5-13(15)19(25)28-2/h3-10H,1-2H3,(H,21,22,23)