N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-ethyl-phenyl]carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-ethyl-phenyl]carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-ethyl-phenyl]carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-ethylanilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-ethylphenyl]carbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-ethyl-phenyl]carbamoyl]-2-nitro-benzamide Formula: C20H16ClN5O5 MolecularWeight: 441.82454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl

InChI

InChI=1S/C20H16ClN5O5/c1-2-12-9-14(7-8-17(12)31-20-22-10-13(21)11-23-20)24-19(28)25-18(27)15-5-3-4-6-16(15)26(29)30/h3-11H,2H2,1H3,(H2,24,25,27,28)