8-(imidazol-1-ylmethyl)-5-nitro-chromen-4-one

Systemtic Name: 8-(imidazol-1-ylmethyl)-5-nitro-chromen-4-one Openeye Name: 8-(imidazol-1-ylmethyl)-5-nitro-chromen-4-one CAS Name: 8-(1-imidazolylmethyl)-5-nitro-1-benzopyran-4-one IUPAC Name: 8-(imidazol-1-ylmethyl)-5-nitrochromen-4-one Traditional Name: 8-(imidazol-1-ylmethyl)-5-nitro-chromone Formula: C13H9N3O4 MolecularWeight: 271.22826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=O)C=COC2=C1CN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=O)C=COC2=C1CN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4/c17-11-3-6-20-13-9(7-15-5-4-14-8-15)1-2-10(12(11)13)16(18)19/h1-6,8H,7H2