3-[2-[(4-chlorophenyl)carbonylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(4-chlorophenyl)carbonylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(4-chlorobenzoyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[(4-chlorophenyl)-oxomethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(4-chlorobenzoyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(4-chlorobenzoyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H12ClN3O5/c19-11-7-5-10(6-8-11)16(24)20-14(23)9-22-17(25)13-4-2-1-3-12(13)15(21-22)18(26)27/h1-8H,9H2,(H,26,27)(H,20,23,24)