(E)-3-(4-bromanyl-3-nitro-phenyl)-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(2-thienyl)acrylic acid Formula: C13H8BrNO4S MolecularWeight: 354.17592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrNO4S/c14-10-4-3-8(7-11(10)15(18)19)6-9(13(16)17)12-2-1-5-20-12/h1-7H,(H,16,17)/b9-6-