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

Systemtic Name: ethyl 5-methyl-3-oxidanylidene-2-phenyl-4,1,2-benzoxadiazin-2-ium-7-carboxylate Openeye Name: ethyl 5-methyl-3-oxo-2-phenyl-4,1,2-benzoxadiazin-2-ium-7-carboxylate CAS Name: 5-methyl-3-oxo-2-phenyl-4,1,2-benzoxadiazin-2-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-oxo-2-phenyl-4,1,2-benzoxadiazin-2-ium-7-carboxylate Traditional Name: 3-keto-5-methyl-2-phenyl-4,1,2-benzoxadiazin-2-ium-7-carboxylic acid ethyl ester Formula: C17H15N2O4+ MolecularWeight: 311.312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1)N=[N+](C(=O)O2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1)N=[N+](C(=O)O2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H15N2O4/c1-3-22-16(20)12-9-11(2)15-14(10-12)18-19(17(21)23-15)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3/q+1