ethyl 7-methyl-3-oxidanidyl-6-phenylmethoxy-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate

Systemtic Name: ethyl 7-methyl-3-oxidanidyl-6-phenylmethoxy-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Openeye Name: ethyl 6-benzyloxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate CAS Name: 7-methyl-3-oxido-6-phenylmethoxy-8-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-3-oxido-6-phenylmethoxypyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Traditional Name: 6-benzoxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylic acid ethyl ester Formula: C19H17N3O5 MolecularWeight: 367.35538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])OCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C3=NO[N+](=C3C=C2)[O-])OCC4=CC=CC=C4)C

InChI

InChI=1S/C19H17N3O5/c1-3-25-19(23)16-12(2)21(26-11-13-7-5-4-6-8-13)14-9-10-15-18(17(14)16)20-27-22(15)24/h4-10H,3,11H2,1-2H3