N'-[2-(4-imidazol-1-ylphenyl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]ethanimidamide

Systemtic Name: N'-[2-(4-imidazol-1-ylphenyl)-3-oxidanyl-4-oxidanylidene-chromen-6-yl]ethanimidamide Openeye Name: N'-[3-hydroxy-2-(4-imidazol-1-ylphenyl)-4-oxo-chromen-6-yl]acetamidine CAS Name: N'-[3-hydroxy-2-[4-(1-imidazolyl)phenyl]-4-oxo-1-benzopyran-6-yl]ethanimidamide IUPAC Name: N'-[3-hydroxy-2-(4-imidazol-1-ylphenyl)-4-oxochromen-6-yl]ethanimidamide Traditional Name: N'-[3-hydroxy-2-(4-imidazol-1-ylphenyl)-4-keto-chromen-6-yl]acetamidine Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)N4C=CN=C4)N

Isomeric SMILES

CC(=NC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)N4C=CN=C4)N

InChI

InChI=1S/C20H16N4O3/c1-12(21)23-14-4-7-17-16(10-14)18(25)19(26)20(27-17)13-2-5-15(6-3-13)24-9-8-22-11-24/h2-11,26H,1H3,(H2,21,23)