methyl 3-acetamido-4-oxidanylidene-2-prop-1-en-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate

Systemtic Name: methyl 3-acetamido-4-oxidanylidene-2-prop-1-en-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H13N2O5+ MolecularWeight: 253.23132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O5/c1-7(2)13(11(16)17-4)10(12-8(3)14)9(15)5-6-18-13/h10H,1H2,2-4H3/p+1