2-[(2E)-2-[[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylidene]hydrazinyl]benzoic acid

Systemtic Name: 2-[(2E)-2-[[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylidene]hydrazinyl]benzoic acid Openeye Name: 2-[(2E)-2-[[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]methylene]hydrazino]benzoic acid CAS Name: 2-[(2E)-2-[[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid IUPAC Name: 2-[(2E)-2-[[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid Traditional Name: 2-[(N'E)-N'-[3-(benzotriazol-1-ylmethyl)-4-methoxy-benzylidene]hydrazino]benzoic acid Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC2=CC=CC=C2C(=O)O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC2=CC=CC=C2C(=O)O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H19N5O3/c1-30-21-11-10-15(13-23-24-18-7-3-2-6-17(18)22(28)29)12-16(21)14-27-20-9-5-4-8-19(20)25-26-27/h2-13,24H,14H2,1H3,(H,28,29)/b23-13+