(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H15NO8S MolecularWeight: 417.3893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO8S/c1-11-3-5-14-13(9-18(21)28-16(14)7-11)10-27-19(22)12-4-6-17(29(2,25)26)15(8-12)20(23)24/h3-9H,10H2,1-2H3