(E)-2-(2-chloranyl-5-nitro-phenyl)carbonyl-3-(2,2-dimethylhydrazinyl)but-2-enoic acid

Systemtic Name: (E)-2-(2-chloranyl-5-nitro-phenyl)carbonyl-3-(2,2-dimethylhydrazinyl)but-2-enoic acid Openeye Name: (E)-2-(2-chloro-5-nitro-benzoyl)-3-(2,2-dimethylhydrazino)but-2-enoic acid CAS Name: (E)-2-[(2-chloro-5-nitrophenyl)-oxomethyl]-3-(2,2-dimethylhydrazinyl)-2-butenoic acid IUPAC Name: (E)-2-(2-chloro-5-nitrobenzoyl)-3-(2,2-dimethylhydrazinyl)but-2-enoic acid Traditional Name: (E)-2-(2-chloro-5-nitro-benzoyl)-3-(N',N'-dimethylhydrazino)but-2-enoic acid Formula: C13H14ClN3O5 MolecularWeight: 327.72036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl)\C(=O)O)/NN(C)C

InChI

InChI=1S/C13H14ClN3O5/c1-7(15-16(2)3)11(13(19)20)12(18)9-6-8(17(21)22)4-5-10(9)14/h4-6,15H,1-3H3,(H,19,20)/b11-7+