6-(2-methyl-5-nitro-imidazol-1-yl)sulfonylchromen-2-one

Systemtic Name: 6-(2-methyl-5-nitro-imidazol-1-yl)sulfonylchromen-2-one Openeye Name: 6-(2-methyl-5-nitro-imidazol-1-yl)sulfonylchromen-2-one CAS Name: 6-[(2-methyl-5-nitro-1-imidazolyl)sulfonyl]-1-benzopyran-2-one IUPAC Name: 6-(2-methyl-5-nitroimidazol-1-yl)sulfonylchromen-2-one Traditional Name: 6-(2-methyl-5-nitro-imidazol-1-yl)sulfonylcoumarin Formula: C13H9N3O6S MolecularWeight: 335.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1S(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1S(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6S/c1-8-14-7-12(16(18)19)15(8)23(20,21)10-3-4-11-9(6-10)2-5-13(17)22-11/h2-7H,1H3