2-[(3-chloranyl-2-methyl-phenyl)amino]-5-cyano-1,3-benzoxazole-7-carboxylic acid

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)amino]-5-cyano-1,3-benzoxazole-7-carboxylic acid Openeye Name: 2-(3-chloro-2-methyl-anilino)-5-cyano-1,3-benzoxazole-7-carboxylic acid CAS Name: 2-(3-chloro-2-methylanilino)-5-cyano-1,3-benzoxazole-7-carboxylic acid IUPAC Name: 2-(3-chloro-2-methylanilino)-5-cyano-1,3-benzoxazole-7-carboxylic acid Traditional Name: 2-(3-chloro-2-methyl-anilino)-5-cyano-1,3-benzoxazole-7-carboxylic acid Formula: C16H10ClN3O3 MolecularWeight: 327.7219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NC3=CC(=CC(=C3O2)C(=O)O)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NC3=CC(=CC(=C3O2)C(=O)O)C#N

InChI

InChI=1S/C16H10ClN3O3/c1-8-11(17)3-2-4-12(8)19-16-20-13-6-9(7-18)5-10(15(21)22)14(13)23-16/h2-6H,1H3,(H,19,20)(H,21,22)