6,7-dimethyl-4-[(4-nitroimidazol-1-yl)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-nitroimidazol-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-nitroimidazol-1-yl)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(4-nitro-1-imidazolyl)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-nitroimidazol-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(4-nitroimidazol-1-yl)methyl]coumarin Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C=C(N=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3C=C(N=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O4/c1-9-3-12-11(5-15(19)22-13(12)4-10(9)2)6-17-7-14(16-8-17)18(20)21/h3-5,7-8H,6H2,1-2H3