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

Systemtic Name: [4-bromanyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 3-nitrobenzoate Openeye Name: [4-bromo-2-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl] 3-nitrobenzoate CAS Name: 3-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] 3-nitrobenzoate Traditional Name: 3-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=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Br)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Br)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H12BrNO5S/c21-14-6-9-19(17(12-14)18(23)8-7-16-5-2-10-28-16)27-20(24)13-3-1-4-15(11-13)22(25)26/h1-12H/b8-7+