(2-oxidanylidenechromen-7-yl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-oxochromen-7-yl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-ketochromen-7-yl) ester Formula: C17H11NO6S MolecularWeight: 357.33734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=CC(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C17H11NO6S/c1-25-15-6-3-11(8-13(15)18(21)22)17(20)23-12-5-2-10-4-7-16(19)24-14(10)9-12/h2-9H,1H3