(4-bromanyl-6-methyl-1-oxidanylidene-benzo[b][1,6]naphthyridin-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-bromanyl-6-methyl-1-oxidanylidene-benzo[b][1,6]naphthyridin-2-yl) 4-methylbenzenesulfonate Openeye Name: (4-bromo-6-methyl-1-oxo-benzo[b][1,6]naphthyridin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-bromo-6-methyl-1-oxo-2-benzo[b][1,6]naphthyridinyl) ester IUPAC Name: (4-bromo-6-methyl-1-oxobenzo[b][1,6]naphthyridin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-bromo-1-keto-6-methyl-benzo[b][1,6]naphthyridin-2-yl) ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C3=C(C2=O)C=C4C=CC=C(C4=N3)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C3=C(C2=O)C=C4C=CC=C(C4=N3)C)Br

InChI

InChI=1S/C20H15BrN2O4S/c1-12-6-8-15(9-7-12)28(25,26)27-23-11-17(21)19-16(20(23)24)10-14-5-3-4-13(2)18(14)22-19/h3-11H,1-2H3