2-[chloranyl-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[chloranyl-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[chloro-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamoyl]cyclopropanecarboxylic acid CAS Name: 2-[[N-chloro-3-[(4-oxo-3H-phthalazin-1-yl)methyl]anilino]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[chloro-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[chloro-[3-[(4-keto-3H-phthalazin-1-yl)methyl]phenyl]carbamoyl]cyclopropanecarboxylic acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)C(=O)N(C2=CC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

C1C(C1C(=O)O)C(=O)N(C2=CC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C20H16ClN3O4/c21-24(19(26)15-10-16(15)20(27)28)12-5-3-4-11(8-12)9-17-13-6-1-2-7-14(13)18(25)23-22-17/h1-8,15-16H,9-10H2,(H,23,25)(H,27,28)