3-(2-cyanoethanoylamino)-1-(4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-but-2-en-2-yl)-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-(2-cyanoethanoylamino)-1-(4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-but-2-en-2-yl)-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[(2-cyanoacetyl)amino]-1-(3-ethoxy-2-ethoxycarbonyl-1-methyl-3-oxo-prop-1-enyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[(2-cyano-1-oxoethyl)amino]-1-(4-ethoxy-3-ethoxycarbonyl-4-oxobut-2-en-2-yl)-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[(2-cyanoacetyl)amino]-1-(4-ethoxy-3-ethoxycarbonyl-4-oxobut-2-en-2-yl)-4-oxoazetidine-2-carboxylic acid Traditional Name: 1-(2-carbethoxy-3-ethoxy-3-keto-1-methyl-prop-1-enyl)-3-[(2-cyanoacetyl)amino]-4-keto-azetidine-2-carboxylic acid Formula: C16H19N3O8 MolecularWeight: 381.33736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)N1C(C(C1=O)NC(=O)CC#N)C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(C)N1C(C(C1=O)NC(=O)CC#N)C(=O)O)C(=O)OCC

InChI

InChI=1S/C16H19N3O8/c1-4-26-15(24)10(16(25)27-5-2)8(3)19-12(14(22)23)11(13(19)21)18-9(20)6-7-17/h11-12H,4-6H2,1-3H3,(H,18,20)(H,22,23)