3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(5-bromo-2-thiophenyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(5-bromo-2-thienyl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C15H8BrN2O4S- MolecularWeight: 392.20402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)C3=CC=C(S3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)C3=CC=C(S3)Br)C(=O)[O-]

InChI

InChI=1S/C15H9BrN2O4S/c16-12-6-5-11(23-12)10(19)7-18-14(20)9-4-2-1-3-8(9)13(17-18)15(21)22/h1-6H,7H2,(H,21,22)/p-1