5-chloranyl-2-[[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]amino]benzoic acid Openeye Name: 5-chloro-2-[[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]amino]benzoic acid CAS Name: 5-chloro-2-[[(E)-2-cyano-3-(dimethylamino)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[(E)-2-cyano-3-(dimethylamino)prop-2-enoyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[(E)-2-cyano-3-(dimethylamino)acryloyl]amino]benzoic acid Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C#N)C(=O)NC1=C(C=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CN(C)/C=C(\C#N)/C(=O)NC1=C(C=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C13H12ClN3O3/c1-17(2)7-8(6-15)12(18)16-11-4-3-9(14)5-10(11)13(19)20/h3-5,7H,1-2H3,(H,16,18)(H,19,20)/b8-7+