3-[2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2-(4-chloranylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-(4-chlorophenoxy)ethyl-methyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Cl)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Cl)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H18ClN3O5/c1-23(10-11-29-14-8-6-13(21)7-9-14)17(25)12-24-19(26)16-5-3-2-4-15(16)18(22-24)20(27)28/h2-9H,10-12H2,1H3,(H,27,28)