5-[chloranyl-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[chloranyl-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[N-chloro-3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[N-chloro-3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[N-chloro-3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-5-oxopentanoic acid Traditional Name: 5-[N-chloro-3-[(4-keto-3H-phthalazin-1-yl)methyl]anilino]-5-keto-valeric acid Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=CC=C3)N(C(=O)CCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC(=CC=C3)N(C(=O)CCCC(=O)O)Cl

InChI

InChI=1S/C20H18ClN3O4/c21-24(18(25)9-4-10-19(26)27)14-6-3-5-13(11-14)12-17-15-7-1-2-8-16(15)20(28)23-22-17/h1-3,5-8,11H,4,9-10,12H2,(H,23,28)(H,26,27)