6,7-dimethoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one

Systemtic Name: 6,7-dimethoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one CAS Name: 6,7-dimethoxy-3-[(2-nitro-1-imidazolyl)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethoxy-3-[(2-nitroimidazol-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethoxy-3-[(2-nitroimidazol-1-yl)methyl]coumarin Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)O2)CN3C=CN=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)O2)CN3C=CN=C3[N+](=O)[O-])OC

InChI

InChI=1S/C15H13N3O6/c1-22-12-6-9-5-10(8-17-4-3-16-15(17)18(20)21)14(19)24-11(9)7-13(12)23-2/h3-7H,8H2,1-2H3