[4-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-nitrobenzoate Openeye Name: [4-bromo-2-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-bromo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-bromo-2-[(E)-3-(2-thienyl)acryloyl]phenyl] ester Formula: C20H12BrNO5S MolecularWeight: 458.28198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H12BrNO5S/c21-14-5-10-19(17(12-14)18(23)9-8-16-2-1-11-28-16)27-20(24)13-3-6-15(7-4-13)22(25)26/h1-12H/b9-8+