(phenylmethyl) 3-acetamido-4-oxidanylidene-2-prop-1-en-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate

Systemtic Name: (phenylmethyl) 3-acetamido-4-oxidanylidene-2-prop-1-en-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate Openeye Name: benzyl 3-acetamido-2-isopropenyl-4-oxo-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate CAS Name: 3-acetamido-2-(1-methylethenyl)-4-oxo-1-oxa-2-azoniacyclohex-5-yne-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-acetamido-4-oxo-2-prop-1-en-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate Traditional Name: 3-acetamido-2-isopropenyl-4-keto-1-oxa-2-azoniacyclohex-5-yne-2-carboxylic acid benzyl ester Formula: C17H17N2O5+ MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[N+]1(C(C(=O)C#CO1)NC(=O)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=C)[N+]1(C(C(=O)C#CO1)NC(=O)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O5/c1-12(2)19(16(18-13(3)20)15(21)9-10-24-19)17(22)23-11-14-7-5-4-6-8-14/h4-8,16H,1,11H2,2-3H3/p+1