3-[(3E)-3-[(4-chloranyl-2-nitro-phenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 3-[(3E)-3-[(4-chloranyl-2-nitro-phenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-[(3E)-3-[(4-chloro-2-nitro-phenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-[(3E)-3-[(4-chloro-2-nitrophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-[(3E)-3-[(4-chloro-2-nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 3-[(3E)-3-[(4-chloro-2-nitro-phenyl)hydrazono]-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid Formula: C15H12ClN3O5 MolecularWeight: 349.72588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=NNC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C=C1CCC(=O)O

Isomeric SMILES

C1=CC(=O)/C(=N/NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])/C=C1CCC(=O)O

InChI

InChI=1S/C15H12ClN3O5/c16-10-3-4-11(13(8-10)19(23)24)17-18-12-7-9(1-5-14(12)20)2-6-15(21)22/h1,3-5,7-8,17H,2,6H2,(H,21,22)/b18-12+