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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O5/c1-3-29-20(26)13-4-6-14(7-5-13)24-18-17(25(27)28)19(23-11-22-18)30-15-8-9-16(21)12(2)10-15/h4-11H,3H2,1-2H3,(H,22,23,24)