ethyl 5-methyl-2-phenyl-3H-4,1,2-benzoxadiazin-2-ium-7-carboxylate

Systemtic Name: ethyl 5-methyl-2-phenyl-3H-4,1,2-benzoxadiazin-2-ium-7-carboxylate Openeye Name: ethyl 5-methyl-2-phenyl-3H-4,1,2-benzoxadiazin-2-ium-7-carboxylate CAS Name: 5-methyl-2-phenyl-3H-4,1,2-benzoxadiazin-2-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-phenyl-3H-4,1,2-benzoxadiazin-2-ium-7-carboxylate Traditional Name: 5-methyl-2-phenyl-3H-4,1,2-benzoxadiazin-2-ium-7-carboxylic acid ethyl ester Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1)N=[N+](CO2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1)N=[N+](CO2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H17N2O3/c1-3-21-17(20)13-9-12(2)16-15(10-13)18-19(11-22-16)14-7-5-4-6-8-14/h4-10H,3,11H2,1-2H3/q+1