4-[(2E)-2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-iodanyl-5-methoxy-phenyl]methylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-iodanyl-5-methoxy-phenyl]methylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[[4-(2-amino-2-oxo-ethoxy)-3-iodo-5-methoxy-phenyl]methylene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[[4-(2-amino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[4-(2-amino-2-keto-ethoxy)-3-iodo-5-methoxy-benzylidene]hydrazino]benzoic acid Formula: C17H16IN3O5 MolecularWeight: 469.23051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=CC=C(C=C2)C(=O)O)I)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=CC=C(C=C2)C(=O)O)I)OCC(=O)N

InChI

InChI=1S/C17H16IN3O5/c1-25-14-7-10(6-13(18)16(14)26-9-15(19)22)8-20-21-12-4-2-11(3-5-12)17(23)24/h2-8,21H,9H2,1H3,(H2,19,22)(H,23,24)/b20-8+