5-bromanyl-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methyl-benzoic acid

Systemtic Name: 5-bromanyl-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)-1-oxobut-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methyl-benzoic acid Formula: C18H14BrCl2NO3 MolecularWeight: 443.11866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)O)NC(=O)C=C(C)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)NC(=O)/C=C(\C)/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H14BrCl2NO3/c1-9(11-3-4-14(20)15(21)7-11)6-16(23)22-17-10(2)5-12(19)8-13(17)18(24)25/h3-8H,1-2H3,(H,22,23)(H,24,25)/b9-6+