1-(2-ethoxyphenyl)carbonyl-3-methyl-1,2-diaziridine-3-carboxylic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 1-(2-ethoxyphenyl)carbonyl-3-methyl-1,2-diaziridine-3-carboxylic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 1-(2-ethoxybenzoyl)-3-methyl-diaziridine-3-carboxylic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 1-[(2-ethoxyphenyl)-oxomethyl]-3-methyl-3-diaziridinecarboxylic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 1-(2-ethoxybenzoyl)-3-methyldiaziridine-3-carboxylic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 1-(2-ethoxybenzoyl)-3-methyl-diaziridine-3-carboxylic acid; 2-(2-hydroxyethylamino)ethanol Formula: C16H25N3O6 MolecularWeight: 355.3862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2C(N2)(C)C(=O)O.C(CO)NCCO

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2C(N2)(C)C(=O)O.C(CO)NCCO

InChI

InChI=1S/C12H14N2O4.C4H11NO2/c1-3-18-9-7-5-4-6-8(9)10(15)14-12(2,13-14)11(16)17;6-3-1-5-2-4-7/h4-7,13H,3H2,1-2H3,(H,16,17);5-7H,1-4H2