4-[(E)-3-(5-bromanylthiophen-2-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-(5-bromanylthiophen-2-yl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(5-bromo-2-thienyl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(5-bromo-2-thiophenyl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(5-bromothiophen-2-yl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(5-bromo-2-thienyl)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C13H7BrNO4S- MolecularWeight: 353.16798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)C2=CC=C(S2)Br)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)C2=CC=C(S2)Br)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H8BrNO4S/c14-13-6-5-12(20-13)11(17)4-2-8-1-3-10(16)9(7-8)15(18)19/h1-7,16H/p-1/b4-2+