methyl (2E)-5,5-dimethyl-2-[(3-nitrophenyl)carbonylhydrazinylidene]-4-oxidanylidene-hexanoate

Systemtic Name: methyl (2E)-5,5-dimethyl-2-[(3-nitrophenyl)carbonylhydrazinylidene]-4-oxidanylidene-hexanoate Openeye Name: methyl (2E)-5,5-dimethyl-2-[(3-nitrobenzoyl)hydrazono]-4-oxo-hexanoate CAS Name: (2E)-5,5-dimethyl-2-[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]-4-oxohexanoic acid methyl ester IUPAC Name: methyl (2E)-5,5-dimethyl-2-[(3-nitrobenzoyl)hydrazinylidene]-4-oxohexanoate Traditional Name: (2E)-4-keto-5,5-dimethyl-2-[(3-nitrobenzoyl)hydrazono]hexanoic acid methyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)C/C(=N\NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C16H19N3O6/c1-16(2,3)13(20)9-12(15(22)25-4)17-18-14(21)10-6-5-7-11(8-10)19(23)24/h5-8H,9H2,1-4H3,(H,18,21)/b17-12+