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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C19H15NO7S MolecularWeight: 401.3899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO7S/c1-25-13-4-5-14-12(8-18(21)27-16(14)9-13)10-26-19(22)11-3-6-17(28-2)15(7-11)20(23)24/h3-9H,10H2,1-2H3