3-[2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C16H9Cl2N4O4- MolecularWeight: 392.17306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=C(C=N3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=C(C=N3)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H10Cl2N4O4/c17-8-5-11(18)14(19-6-8)20-12(23)7-22-15(24)10-4-2-1-3-9(10)13(21-22)16(25)26/h1-6H,7H2,(H,25,26)(H,19,20,23)/p-1