3-[[3-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C21H19BrN2O5/c1-12(2)29-19-17(22)8-13(9-18(19)28-3)7-15(11-23)20(25)24-16-6-4-5-14(10-16)21(26)27/h4-10,12H,1-3H3,(H,24,25)(H,26,27)