4-[[(E)-but-2-enoyl]amino]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[[(E)-but-2-enoyl]amino]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[[(E)-but-2-enoyl]amino]-5-chloro-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[(E)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-but-2-enoyl]amino]-5-chloro-2-methoxybenzoic acid Traditional Name: 4-[[(E)-but-2-enoyl]amino]-5-chloro-2-methoxy-benzoic acid Formula: C12H12ClNO4 MolecularWeight: 269.68098

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

Isomeric SMILES

C/C=C/C(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

InChI

InChI=1S/C12H12ClNO4/c1-3-4-11(15)14-9-6-10(18-2)7(12(16)17)5-8(9)13/h3-6H,1-2H3,(H,14,15)(H,16,17)/b4-3+