N-[3-[tert-butyl-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)amino]propyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[3-[tert-butyl-(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)amino]propyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[3-[tert-butyl-(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]propyl]-2-chloro-5-nitro-benzamide CAS Name: N-[3-[tert-butyl-(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]propyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[3-[tert-butyl-(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]propyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[3-[tert-butyl-(5-chloro-6-keto-1H-pyridazin-4-yl)amino]propyl]-2-chloro-5-nitro-benzamide Formula: C18H21Cl2N5O4 MolecularWeight: 442.29644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=C(C(=O)NN=C2)Cl

Isomeric SMILES

CC(C)(C)N(CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=C(C(=O)NN=C2)Cl

InChI

InChI=1S/C18H21Cl2N5O4/c1-18(2,3)24(14-10-22-23-17(27)15(14)20)8-4-7-21-16(26)12-9-11(25(28)29)5-6-13(12)19/h5-6,9-10H,4,7-8H2,1-3H3,(H,21,26)(H,23,27)