2-(2-ethylaziridin-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2-(2-ethylaziridin-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2-(2-ethylaziridin-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 2-(2-ethyl-1-aziridinyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2-(2-ethylaziridin-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2-(2-ethylethylenimin-1-yl)isophthalic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN1C2=C(C=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CCC1CN1C2=C(C=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-2-7-6-13(7)10-8(11(14)15)4-3-5-9(10)12(16)17/h3-5,7H,2,6H2,1H3,(H,14,15)(H,16,17)