(E)-3-(2-methoxyethylsulfonyl)-4-(2-nitrophenyl)but-3-en-2-one

Systemtic Name: (E)-3-(2-methoxyethylsulfonyl)-4-(2-nitrophenyl)but-3-en-2-one Openeye Name: (E)-3-(2-methoxyethylsulfonyl)-4-(2-nitrophenyl)but-3-en-2-one CAS Name: (E)-3-(2-methoxyethylsulfonyl)-4-(2-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-3-(2-methoxyethylsulfonyl)-4-(2-nitrophenyl)but-3-en-2-one Traditional Name: (E)-3-(2-methoxyethylsulfonyl)-4-(2-nitrophenyl)but-3-en-2-one Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1[N+](=O)[O-])/S(=O)(=O)CCOC

InChI

InChI=1S/C13H15NO6S/c1-10(15)13(21(18,19)8-7-20-2)9-11-5-3-4-6-12(11)14(16)17/h3-6,9H,7-8H2,1-2H3/b13-9+