3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-[(3E)-5-tert-butyl-3-[(2-nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 3-[(3E)-5-tert-butyl-4-keto-3-[(2-nitrophenyl)hydrazono]cyclohexa-1,5-dien-1-yl]propionic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=NNC2=CC=CC=C2[N+](=O)[O-])C1=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C/C(=N\NC2=CC=CC=C2[N+](=O)[O-])/C1=O)CCC(=O)O

InChI

InChI=1S/C19H21N3O5/c1-19(2,3)13-10-12(8-9-17(23)24)11-15(18(13)25)21-20-14-6-4-5-7-16(14)22(26)27/h4-7,10-11,20H,8-9H2,1-3H3,(H,23,24)/b21-15+