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

Systemtic Name: ethyl 7-methyl-3-oxidanidyl-6-prop-2-enoxy-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Openeye Name: ethyl 6-allyloxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate CAS Name: 7-methyl-3-oxido-6-prop-2-enoxy-8-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-methyl-3-oxido-6-prop-2-enoxypyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylate Traditional Name: 6-allyloxy-7-methyl-3-oxido-pyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-carboxylic acid ethyl ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5/c1-4-8-22-17-9(3)12(15(19)21-5-2)13-10(17)6-7-11-14(13)16-23-18(11)20/h4,6-7H,1,5,8H2,2-3H3