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

Systemtic Name: 3-[(2E)-2-[[3-bromanyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylidene]hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-[[4-(2-anilino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methylene]hydrazino]benzoic acid CAS Name: 3-[(2E)-2-[[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylidene]hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-[[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylidene]hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-[4-(2-anilino-2-keto-ethoxy)-3-bromo-5-methoxy-benzylidene]hydrazino]benzoic acid Formula: C23H20BrN3O5 MolecularWeight: 498.326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=CC=CC(=C2)C(=O)O)Br)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=CC=CC(=C2)C(=O)O)Br)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H20BrN3O5/c1-31-20-11-15(13-25-27-18-9-5-6-16(12-18)23(29)30)10-19(24)22(20)32-14-21(28)26-17-7-3-2-4-8-17/h2-13,27H,14H2,1H3,(H,26,28)(H,29,30)/b25-13+