(Z)-4-(5-methylthiophen-2-yl)-3-nitro-but-3-en-2-one

Systemtic Name: (Z)-4-(5-methylthiophen-2-yl)-3-nitro-but-3-en-2-one Openeye Name: (Z)-4-(5-methyl-2-thienyl)-3-nitro-but-3-en-2-one CAS Name: (Z)-4-(5-methyl-2-thiophenyl)-3-nitro-3-buten-2-one IUPAC Name: (Z)-4-(5-methylthiophen-2-yl)-3-nitrobut-3-en-2-one Traditional Name: (Z)-4-(5-methyl-2-thienyl)-3-nitro-but-3-en-2-one Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C(C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)/C=C(/C(=O)C)\[N+](=O)[O-]

InChI

InChI=1S/C9H9NO3S/c1-6-3-4-8(14-6)5-9(7(2)11)10(12)13/h3-5H,1-2H3/b9-5-