butyl 8-oxidanylidene-3-(phenylcarbamoyl)-1-azoniabicyclo[4.2.0]oct-1-ene-7-carboxylate

Systemtic Name: butyl 8-oxidanylidene-3-(phenylcarbamoyl)-1-azoniabicyclo[4.2.0]oct-1-ene-7-carboxylate Openeye Name: butyl 8-oxo-3-(phenylcarbamoyl)-1-azoniabicyclo[4.2.0]oct-1-ene-7-carboxylate CAS Name: 3-[anilino(oxo)methyl]-8-oxo-1-azoniabicyclo[4.2.0]oct-1-ene-7-carboxylic acid butyl ester IUPAC Name: butyl 8-oxo-3-(phenylcarbamoyl)-1-azoniabicyclo[4.2.0]oct-1-ene-7-carboxylate Traditional Name: 8-keto-3-(phenylcarbamoyl)-1-azoniabicyclo[4.2.0]oct-1-ene-7-carboxylic acid butyl ester Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C2CCC(C=[N+]2C1=O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1C2CCC(C=[N+]2C1=O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4/c1-2-3-11-25-19(24)16-15-10-9-13(12-21(15)18(16)23)17(22)20-14-7-5-4-6-8-14/h4-8,12-13,15-16H,2-3,9-11H2,1H3/p+1