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

Systemtic Name: methyl 5-bromanyl-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methyl-benzoate Openeye Name: methyl 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methyl-benzoate CAS Name: 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)-1-oxobut-2-enyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methylbenzoate Traditional Name: 5-bromo-2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-3-methyl-benzoic acid methyl ester Formula: C19H16BrCl2NO3 MolecularWeight: 457.14524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrCl2NO3/c1-10(12-4-5-15(21)16(22)8-12)7-17(24)23-18-11(2)6-13(20)9-14(18)19(25)26-3/h4-9H,1-3H3,(H,23,24)/b10-7+