N-[[4-(6-bromanylpyridazin-3-yl)oxy-3-nitro-phenyl]carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(6-bromanylpyridazin-3-yl)oxy-3-nitro-phenyl]carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(6-bromopyridazin-3-yl)oxy-3-nitro-phenyl]carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(6-bromo-3-pyridazinyl)oxy]-3-nitroanilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(6-bromopyridazin-3-yl)oxy-3-nitrophenyl]carbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-(6-bromopyridazin-3-yl)oxy-3-nitro-phenyl]carbamoyl]-2-nitro-benzamide Formula: C18H11BrN6O7 MolecularWeight: 503.21994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NN=C(C=C3)Br)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NN=C(C=C3)Br)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H11BrN6O7/c19-15-7-8-16(23-22-15)32-14-6-5-10(9-13(14)25(30)31)20-18(27)21-17(26)11-3-1-2-4-12(11)24(28)29/h1-9H,(H2,20,21,26,27)