2-chloranyl-3-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)-ethyl-amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[(3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-prop-1-enyl)-ethyl-amino]benzoic acid Openeye Name: 2-chloro-3-[(3-ethoxy-2-ethoxycarbonyl-3-oxo-prop-1-enyl)-ethyl-amino]benzoic acid CAS Name: 2-chloro-3-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)-ethylamino]benzoic acid IUPAC Name: 2-chloro-3-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)-ethylamino]benzoic acid Traditional Name: 3-[(2-carbethoxy-3-ethoxy-3-keto-prop-1-enyl)-ethyl-amino]-2-chloro-benzoic acid Formula: C17H20ClNO6 MolecularWeight: 369.7968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC=CC(=C1Cl)C(=O)O

Isomeric SMILES

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC=CC(=C1Cl)C(=O)O

InChI

InChI=1S/C17H20ClNO6/c1-4-19(13-9-7-8-11(14(13)18)15(20)21)10-12(16(22)24-5-2)17(23)25-6-3/h7-10H,4-6H2,1-3H3,(H,20,21)