[(E)-3-thiophen-3-ylprop-2-enyl] 3,5-dinitrobenzoate

Systemtic Name: [(E)-3-thiophen-3-ylprop-2-enyl] 3,5-dinitrobenzoate Openeye Name: [(E)-3-(3-thienyl)allyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(E)-3-(3-thiophenyl)prop-2-enyl] ester IUPAC Name: [(E)-3-thiophen-3-ylprop-2-enyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(E)-3-(3-thienyl)allyl] ester Formula: C14H10N2O6S MolecularWeight: 334.304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C=CCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O6S/c17-14(22-4-1-2-10-3-5-23-9-10)11-6-12(15(18)19)8-13(7-11)16(20)21/h1-3,5-9H,4H2/b2-1+