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

Systemtic Name: 3-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl

InChI

InChI=1S/C18H14ClN3O4/c19-14-8-4-1-5-11(14)9-20-15(23)10-22-17(24)13-7-3-2-6-12(13)16(21-22)18(25)26/h1-8H,9-10H2,(H,20,23)(H,25,26)