3-[[3-(3-bromanyl-5-ethoxy-4-naphthalen-1-ylcarbonyloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(3-bromanyl-5-ethoxy-4-naphthalen-1-ylcarbonyloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[3-bromo-5-ethoxy-4-(naphthalene-1-carbonyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[3-bromo-5-ethoxy-4-[1-naphthalenyl(oxo)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[3-bromo-5-ethoxy-4-(naphthalene-1-carbonyloxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[3-bromo-5-ethoxy-4-(1-naphthoyloxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C30H21BrN2O6 MolecularWeight: 585.40154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Br)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C30H21BrN2O6/c1-2-38-26-15-18(13-21(17-32)28(34)33-22-10-5-9-20(16-22)29(35)36)14-25(31)27(26)39-30(37)24-12-6-8-19-7-3-4-11-23(19)24/h3-16H,2H2,1H3,(H,33,34)(H,35,36)