ethyl (1E)-N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate

Systemtic Name: ethyl (1E)-N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate Openeye Name: ethyl (1E)-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate CAS Name: (1E)-N-[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-methylanilino]-oxomethyl]-2-nitrobenzenecarboximidic acid ethyl ester IUPAC Name: ethyl (1E)-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-nitrobenzenecarboximidate Traditional Name: (1E)-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidic acid ethyl ester Formula: C21H18ClN5O5 MolecularWeight: 455.85112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=NC(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Cl)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCO/C(=N/C(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Cl)C)/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN5O5/c1-3-31-19(16-6-4-5-7-17(16)27(29)30)26-20(28)25-15-8-9-18(13(2)10-15)32-21-23-11-14(22)12-24-21/h4-12H,3H2,1-2H3,(H,25,28)/b26-19+