(3E)-N-(4-chloranyl-3-nitro-phenyl)-3-(2-cyanoethanoylhydrazinylidene)butanamide

Systemtic Name: (3E)-N-(4-chloranyl-3-nitro-phenyl)-3-(2-cyanoethanoylhydrazinylidene)butanamide Openeye Name: (3E)-N-(4-chloro-3-nitro-phenyl)-3-[(2-cyanoacetyl)hydrazono]butanamide CAS Name: (3E)-N-(4-chloro-3-nitrophenyl)-3-[(2-cyano-1-oxoethyl)hydrazinylidene]butanamide IUPAC Name: (3E)-N-(4-chloro-3-nitrophenyl)-3-[(2-cyanoacetyl)hydrazinylidene]butanamide Traditional Name: (3E)-N-(4-chloro-3-nitro-phenyl)-3-[(2-cyanoacetyl)hydrazono]butyramide Formula: C13H12ClN5O4 MolecularWeight: 337.71848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC#N)CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)CC#N)/CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN5O4/c1-8(17-18-12(20)4-5-15)6-13(21)16-9-2-3-10(14)11(7-9)19(22)23/h2-3,7H,4,6H2,1H3,(H,16,21)(H,18,20)/b17-8+