2-[(E)-4-(3-nitrophenyl)but-3-en-2-yl]sulfonyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(E)-4-(3-nitrophenyl)but-3-en-2-yl]sulfonyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(E)-1-methyl-3-(3-nitrophenyl)allyl]sulfonyl-1-oxido-pyridin-1-ium CAS Name: 2-[(E)-4-(3-nitrophenyl)but-3-en-2-yl]sulfonyl-1-oxidopyridin-1-ium IUPAC Name: 2-[(E)-4-(3-nitrophenyl)but-3-en-2-yl]sulfonyl-1-oxidopyridin-1-ium Traditional Name: 2-[(E)-1-methyl-3-(3-nitrophenyl)allyl]sulfonyl-1-oxido-pyridin-1-ium Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(/C=C/C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H14N2O5S/c1-12(23(21,22)15-7-2-3-10-16(15)18)8-9-13-5-4-6-14(11-13)17(19)20/h2-12H,1H3/b9-8+