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

Systemtic Name: N-[[4-(5-chloranylpyrimidin-2-yl)oxy-3-nitro-phenyl]carbamoyl]-2,4-dinitro-benzamide Openeye Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitro-phenyl]carbamoyl]-2,4-dinitro-benzamide CAS Name: N-[[4-[(5-chloro-2-pyrimidinyl)oxy]-3-nitroanilino]-oxomethyl]-2,4-dinitrobenzamide IUPAC Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]-2,4-dinitrobenzamide Traditional Name: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitro-phenyl]carbamoyl]-2,4-dinitro-benzamide Formula: C18H10ClN7O9 MolecularWeight: 503.7665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=NC=C(C=N3)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=NC=C(C=N3)Cl

InChI

InChI=1S/C18H10ClN7O9/c19-9-7-20-18(21-8-9)35-15-4-1-10(5-14(15)26(33)34)22-17(28)23-16(27)12-3-2-11(24(29)30)6-13(12)25(31)32/h1-8H,(H2,22,23,27,28)