3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(4-iodoanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(4-iodoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(4-iodoanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H11IN3O4- MolecularWeight: 448.19141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)I)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)I)C(=O)[O-]

InChI

InChI=1S/C17H12IN3O4/c18-10-5-7-11(8-6-10)19-14(22)9-21-16(23)13-4-2-1-3-12(13)15(20-21)17(24)25/h1-8H,9H2,(H,19,22)(H,24,25)/p-1