ethyl 2-(8-ethanoyl-7-methyl-3-oxidanidyl-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-6-yl)oxyethanoate

Systemtic Name: ethyl 2-(8-ethanoyl-7-methyl-3-oxidanidyl-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-6-yl)oxyethanoate Openeye Name: ethyl 2-(8-acetyl-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-6-yl)oxyacetate CAS Name: 2-[(8-acetyl-7-methyl-3-oxido-6-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumyl)oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-(8-acetyl-7-methyl-3-oxidopyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-6-yl)oxyacetate Traditional Name: 2-(8-acetyl-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-6-yl)oxyacetic acid ethyl ester Formula: C15H15N3O6 MolecularWeight: 333.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)C)C

Isomeric SMILES

CCOC(=O)CON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)C)C

InChI

InChI=1S/C15H15N3O6/c1-4-22-12(20)7-23-17-8(2)13(9(3)19)14-10(17)5-6-11-15(14)16-24-18(11)21/h5-6H,4,7H2,1-3H3