5-methoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzoxathiole

Systemtic Name: 5-methoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzoxathiole Openeye Name: 5-methoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzoxathiole CAS Name: 5-methoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzoxathiole IUPAC Name: 5-methoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzoxathiole Traditional Name: 5-methoxy-6-[(E)-2-nitroprop-1-enyl]-1,3-benzoxathiole Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1OC)SCO2)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC2=C(C=C1OC)SCO2)/[N+](=O)[O-]

InChI

InChI=1S/C11H11NO4S/c1-7(12(13)14)3-8-4-10-11(17-6-16-10)5-9(8)15-2/h3-5H,6H2,1-2H3/b7-3+