3-[4-(4-bromophenyl)-4-oxidanylidene-butyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[4-(4-bromophenyl)-4-oxidanylidene-butyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[4-(4-bromophenyl)-4-oxo-butyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[4-(4-bromophenyl)-4-oxobutyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[4-(4-bromophenyl)-4-oxobutyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[4-(4-bromophenyl)-4-keto-butyl]-4-keto-phthalazine-1-carboxylate Formula: C19H14BrN2O4- MolecularWeight: 414.22946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCCC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C19H15BrN2O4/c20-13-9-7-12(8-10-13)16(23)6-3-11-22-18(24)15-5-2-1-4-14(15)17(21-22)19(25)26/h1-2,4-5,7-10H,3,6,11H2,(H,25,26)/p-1