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

Systemtic Name: 2-nitro-4-[(E)-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]phenolate Openeye Name: 2-nitro-4-[(E)-3-oxo-3-(2-thienyl)prop-1-enyl]phenolate CAS Name: 2-nitro-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenolate IUPAC Name: 2-nitro-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenolate Traditional Name: 4-[(E)-3-keto-3-(2-thienyl)prop-1-enyl]-2-nitro-phenolate Formula: C13H8NO4S- MolecularWeight: 274.27192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO4S/c15-11-5-3-9(8-10(11)14(17)18)4-6-12(16)13-2-1-7-19-13/h1-8,15H/p-1/b6-4+