2-chloranyl-3-[(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[(3-methoxy-2-methoxycarbonyl-3-oxidanylidene-prop-1-enyl)amino]benzoic acid Openeye Name: 2-chloro-3-[(3-methoxy-2-methoxycarbonyl-3-oxo-prop-1-enyl)amino]benzoic acid CAS Name: 2-chloro-3-[(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)amino]benzoic acid IUPAC Name: 2-chloro-3-[(3-methoxy-2-methoxycarbonyl-3-oxoprop-1-enyl)amino]benzoic acid Traditional Name: 3-[(2-carbomethoxy-3-keto-3-methoxy-prop-1-enyl)amino]-2-chloro-benzoic acid Formula: C13H12ClNO6 MolecularWeight: 313.69048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC1=CC=CC(=C1Cl)C(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C(=CNC1=CC=CC(=C1Cl)C(=O)O)C(=O)OC

InChI

InChI=1S/C13H12ClNO6/c1-20-12(18)8(13(19)21-2)6-15-9-5-3-4-7(10(9)14)11(16)17/h3-6,15H,1-2H3,(H,16,17)