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

Systemtic Name: ethyl 6-butoxy-7-methyl-3-oxidanidyl-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Openeye Name: ethyl 6-butoxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate CAS Name: 6-butoxy-7-methyl-3-oxido-8-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-butoxy-7-methyl-3-oxidopyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Traditional Name: 6-butoxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylic acid ethyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)OCC)C

Isomeric SMILES

CCCCON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)OCC)C

InChI

InChI=1S/C16H19N3O5/c1-4-6-9-23-18-10(3)13(16(20)22-5-2)14-11(18)7-8-12-15(14)17-24-19(12)21/h7-8H,4-6,9H2,1-3H3