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

Systemtic Name: 3-[[3-(3-bromanyl-5-methoxy-4-naphthalen-1-ylcarbonyloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[3-bromo-5-methoxy-4-(naphthalene-1-carbonyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[3-bromo-5-methoxy-4-[1-naphthalenyl(oxo)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[3-bromo-5-methoxy-4-(naphthalene-1-carbonyloxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[3-bromo-5-methoxy-4-(1-naphthoyloxy)phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C29H19BrN2O6 MolecularWeight: 571.37496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C29H19BrN2O6/c1-37-25-14-17(12-20(16-31)27(33)32-21-9-4-8-19(15-21)28(34)35)13-24(30)26(25)38-29(36)23-11-5-7-18-6-2-3-10-22(18)23/h2-15H,1H3,(H,32,33)(H,34,35)