(E)-4-(4-methyl-2-sulfanyl-phenyl)-3-nitro-but-3-en-2-one

Systemtic Name: (E)-4-(4-methyl-2-sulfanyl-phenyl)-3-nitro-but-3-en-2-one Openeye Name: (E)-4-(4-methyl-2-sulfanyl-phenyl)-3-nitro-but-3-en-2-one CAS Name: (E)-4-(2-mercapto-4-methylphenyl)-3-nitro-3-buten-2-one IUPAC Name: (E)-4-(4-methyl-2-sulfanylphenyl)-3-nitrobut-3-en-2-one Traditional Name: (E)-4-(2-mercapto-4-methyl-phenyl)-3-nitro-but-3-en-2-one Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3S/c1-7-3-4-9(11(16)5-7)6-10(8(2)13)12(14)15/h3-6,16H,1-2H3/b10-6+