bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 3-acetamido-4-oxidanylidene-2-propan-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 3-acetamido-4-oxidanylidene-2-propan-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate Openeye Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 3-acetamido-2-isopropyl-4-oxo-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate CAS Name: 3-acetamido-4-oxo-2-propan-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylic acid methyl ester; bicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl 3-acetamido-4-oxo-2-propan-2-yl-1-oxa-2-azoniacyclohex-5-yne-2-carboxylate Traditional Name: 3-acetamido-2-isopropyl-4-keto-1-oxa-2-azoniacyclohex-5-yne-2-carboxylic acid methyl ester; bicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C17H19N2O5+ MolecularWeight: 331.34316

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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.C1=CC2=CC2=C1

Isomeric SMILES

CC(C)[N+]1(C(C(=O)C#CO1)NC(=O)C)C(=O)OC.C1=CC2=CC2=C1

InChI

InChI=1S/C11H14N2O5.C6H4/c1-7(2)13(11(16)17-4)10(12-8(3)14)9(15)5-6-18-13;1-2-5-4-6(5)3-1/h7,10H,1-4H3;1-4H/p+1