3-(3,4-dimethylphenyl)sulfonyl-6-nitro-chromen-2-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-nitro-chromen-2-one Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-nitro-chromen-2-one CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-nitrochromen-2-one Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-nitro-coumarin Formula: C17H13NO6S MolecularWeight: 359.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C

InChI

InChI=1S/C17H13NO6S/c1-10-3-5-14(7-11(10)2)25(22,23)16-9-12-8-13(18(20)21)4-6-15(12)24-17(16)19/h3-9H,1-2H3