2-chloranyl-3-[[(E)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]-methyl-amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[[(E)-2-methoxycarbonyl-3-oxidanylidene-but-1-enyl]-methyl-amino]benzoic acid Openeye Name: 2-chloro-3-[[(E)-2-methoxycarbonyl-3-oxo-but-1-enyl]-methyl-amino]benzoic acid CAS Name: 2-chloro-3-[[(E)-2-methoxycarbonyl-3-oxobut-1-enyl]-methylamino]benzoic acid IUPAC Name: 2-chloro-3-[[(E)-2-methoxycarbonyl-3-oxobut-1-enyl]-methylamino]benzoic acid Traditional Name: 3-[[(E)-2-carbomethoxy-3-keto-but-1-enyl]-methyl-amino]-2-chloro-benzoic acid Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN(C)C1=CC=CC(=C1Cl)C(=O)O)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\N(C)C1=CC=CC(=C1Cl)C(=O)O)/C(=O)OC

InChI

InChI=1S/C14H14ClNO5/c1-8(17)10(14(20)21-3)7-16(2)11-6-4-5-9(12(11)15)13(18)19/h4-7H,1-3H3,(H,18,19)/b10-7+