3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H15ClFN3O4 MolecularWeight: 403.791503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H15ClFN3O4/c1-23(9-13-14(20)7-4-8-15(13)21)16(25)10-24-18(26)12-6-3-2-5-11(12)17(22-24)19(27)28/h2-8H,9-10H2,1H3,(H,27,28)