3-(imidazol-1-ylmethyl)-6-methoxy-8-oxidanyl-isochromen-1-one

Systemtic Name: 3-(imidazol-1-ylmethyl)-6-methoxy-8-oxidanyl-isochromen-1-one Openeye Name: 8-hydroxy-3-(imidazol-1-ylmethyl)-6-methoxy-isochromen-1-one CAS Name: 8-hydroxy-3-(1-imidazolylmethyl)-6-methoxy-2-benzopyran-1-one IUPAC Name: 8-hydroxy-3-(imidazol-1-ylmethyl)-6-methoxyisochromen-1-one Traditional Name: 8-hydroxy-3-(imidazol-1-ylmethyl)-6-methoxy-isocoumarin Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(OC2=O)CN3C=CN=C3)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(OC2=O)CN3C=CN=C3)O

InChI

InChI=1S/C14H12N2O4/c1-19-10-4-9-5-11(7-16-3-2-15-8-16)20-14(18)13(9)12(17)6-10/h2-6,8,17H,7H2,1H3