7-methoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one

Systemtic Name: 7-methoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one Openeye Name: 7-methoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one CAS Name: 7-methoxy-3-[(2-nitro-1-imidazolyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one Traditional Name: 7-methoxy-3-[(2-nitroimidazol-1-yl)methyl]coumarin Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)O2)CN3C=CN=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)O2)CN3C=CN=C3[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5/c1-21-11-3-2-9-6-10(13(18)22-12(9)7-11)8-16-5-4-15-14(16)17(19)20/h2-7H,8H2,1H3