butyl 4-[(6-methyl-4-oxidanylidene-3,1-benzoxazin-1-ium-2-yl)amino]benzoate

Systemtic Name: butyl 4-[(6-methyl-4-oxidanylidene-3,1-benzoxazin-1-ium-2-yl)amino]benzoate Openeye Name: butyl 4-[(6-methyl-4-oxo-3,1-benzoxazin-1-ium-2-yl)amino]benzoate CAS Name: 4-[(6-methyl-4-oxo-3,1-benzoxazin-1-ium-2-yl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(6-methyl-4-oxo-3,1-benzoxazin-1-ium-2-yl)amino]benzoate Traditional Name: 4-[(4-keto-6-methyl-3,1-benzoxazin-1-ium-2-yl)amino]benzoic acid butyl ester Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C3=C(C=C(C=C3)C)C(=O)O2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C3=C(C=C(C=C3)C)C(=O)O2

InChI

InChI=1S/C20H20N2O4/c1-3-4-11-25-18(23)14-6-8-15(9-7-14)21-20-22-17-10-5-13(2)12-16(17)19(24)26-20/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)/p+1