3-[[(E)-3-(5-bromanyl-2-naphthalen-1-ylcarbonyloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-3-(5-bromanyl-2-naphthalen-1-ylcarbonyloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-[5-bromo-2-(naphthalene-1-carbonyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-3-[5-bromo-2-[1-naphthalenyl(oxo)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-[5-bromo-2-(naphthalene-1-carbonyloxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-[5-bromo-2-(1-naphthoyloxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C28H17BrN2O5 MolecularWeight: 541.34898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)Br)C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=C(C=C3)Br)/C=C(\C#N)/C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C28H17BrN2O5/c29-21-11-12-25(36-28(35)24-10-4-6-17-5-1-2-9-23(17)24)19(14-21)13-20(16-30)26(32)31-22-8-3-7-18(15-22)27(33)34/h1-15H,(H,31,32)(H,33,34)/b20-13+