(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H14BrN3O4 MolecularWeight: 428.23616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H14BrN3O4/c1-3-26-15-9-11(10-21)8-14(20)17(15)27-19(25)16-12-6-4-5-7-13(12)18(24)23(2)22-16/h4-9H,3H2,1-2H3