(E)-N-(1-adamantyl)-3-[2-(2-chloranyl-4-nitro-phenyl)carbonylhydrazinyl]but-2-enamide

Systemtic Name: (E)-N-(1-adamantyl)-3-[2-(2-chloranyl-4-nitro-phenyl)carbonylhydrazinyl]but-2-enamide Openeye Name: (E)-N-(1-adamantyl)-3-[2-(2-chloro-4-nitro-benzoyl)hydrazino]but-2-enamide CAS Name: (E)-N-(1-adamantyl)-3-[[(2-chloro-4-nitrophenyl)-oxomethyl]hydrazo]-2-butenamide IUPAC Name: (E)-N-(1-adamantyl)-3-[2-(2-chloro-4-nitrobenzoyl)hydrazinyl]but-2-enamide Traditional Name: (E)-N-(1-adamantyl)-3-[N'-(2-chloro-4-nitro-benzoyl)hydrazino]but-2-enamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC12CC3CC(C1)CC(C3)C2)NNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C/C(=C\C(=O)NC12CC3CC(C1)CC(C3)C2)/NNC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN4O4/c1-12(24-25-20(28)17-3-2-16(26(29)30)8-18(17)22)4-19(27)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15,24H,5-7,9-11H2,1H3,(H,23,27)(H,25,28)/b12-4+