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

Systemtic Name: methyl 2-[[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C20H17ClN4O5 MolecularWeight: 428.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C20H17ClN4O5/c1-12-10-13(8-9-15(12)21)30-19-17(25(27)28)18(22-11-23-19)24(2)16-7-5-4-6-14(16)20(26)29-3/h4-11H,1-3H3