5-chloranyl-4-(2-cyanoethanoylamino)-2-methoxy-benzoate

Systemtic Name: 5-chloranyl-4-(2-cyanoethanoylamino)-2-methoxy-benzoate Openeye Name: 5-chloro-4-[(2-cyanoacetyl)amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[(2-cyano-1-oxoethyl)amino]-2-methoxybenzoate IUPAC Name: 5-chloro-4-[(2-cyanoacetyl)amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[(2-cyanoacetyl)amino]-2-methoxy-benzoate Formula: C11H8ClN2O4- MolecularWeight: 267.64522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[O-])Cl)NC(=O)CC#N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[O-])Cl)NC(=O)CC#N

InChI

InChI=1S/C11H9ClN2O4/c1-18-9-5-8(14-10(15)2-3-13)7(12)4-6(9)11(16)17/h4-5H,2H2,1H3,(H,14,15)(H,16,17)/p-1