5-chloranyl-2-methoxy-4-(prop-2-ynoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(prop-2-ynoylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(prop-2-ynoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-(1-oxoprop-2-ynylamino)benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(prop-2-ynoylamino)benzoic acid Traditional Name: 5-chloro-2-methoxy-4-(propioloylamino)benzoic acid Formula: C11H8ClNO4 MolecularWeight: 253.63852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)C#C

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)C#C

InChI

InChI=1S/C11H8ClNO4/c1-3-10(14)13-8-5-9(17-2)6(11(15)16)4-7(8)12/h1,4-5H,2H3,(H,13,14)(H,15,16)