2-chloranyl-5-[(2E)-2-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]hydrazinyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(2E)-2-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]hydrazinyl]benzoic acid Openeye Name: 2-chloro-5-[(2E)-2-[(3,4-diethoxy-5-iodo-phenyl)methylene]hydrazino]benzoic acid CAS Name: 2-chloro-5-[(2E)-2-[(3,4-diethoxy-5-iodophenyl)methylidene]hydrazinyl]benzoic acid IUPAC Name: 2-chloro-5-[(2E)-2-[(3,4-diethoxy-5-iodophenyl)methylidene]hydrazinyl]benzoic acid Traditional Name: 2-chloro-5-[(N'E)-N'-(3,4-diethoxy-5-iodo-benzylidene)hydrazino]benzoic acid Formula: C18H18ClIN2O4 MolecularWeight: 488.70399

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC2=CC(=C(C=C2)Cl)C(=O)O)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC2=CC(=C(C=C2)Cl)C(=O)O)I)OCC

InChI

InChI=1S/C18H18ClIN2O4/c1-3-25-16-8-11(7-15(20)17(16)26-4-2)10-21-22-12-5-6-14(19)13(9-12)18(23)24/h5-10,22H,3-4H2,1-2H3,(H,23,24)/b21-10+