methyl 8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-carboxylate

Systemtic Name: methyl 8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-carboxylate Openeye Name: methyl 8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-carboxylate CAS Name: 8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-carboxylate Traditional Name: 8-methyl-3-phenyl-2H-1,3-benzoxazin-3-ium-6-carboxylic acid methyl ester Formula: C17H16NO3+ MolecularWeight: 282.31384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)OC)C=[N+](CO2)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)OC)C=[N+](CO2)C3=CC=CC=C3

InChI

InChI=1S/C17H16NO3/c1-12-8-13(17(19)20-2)9-14-10-18(11-21-16(12)14)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3/q+1