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

Systemtic Name: 3-[[3-(3-bromanyl-5-chloranyl-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(3-bromo-5-chloro-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(3-bromo-5-chloro-4-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(3-bromo-5-chloro-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(3-bromo-5-chloro-4-methoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H12BrClN2O4 MolecularWeight: 435.65588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C18H12BrClN2O4/c1-26-16-14(19)6-10(7-15(16)20)5-12(9-21)17(23)22-13-4-2-3-11(8-13)18(24)25/h2-8H,1H3,(H,22,23)(H,24,25)