[2-[2,5-dimethyl-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pyrrol-3-yl]-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-[2,5-dimethyl-1-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pyrrol-3-yl]-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-keto-2-[1-[(4-keto-3H-phthalazine-1-carbonyl)amino]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C27H21ClN4O6 MolecularWeight: 532.93184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C(=O)COC(=O)C4=C(C5=C(O4)C=CC(=C5)Cl)C

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=NNC(=O)C3=CC=CC=C32)C)C(=O)COC(=O)C4=C(C5=C(O4)C=CC(=C5)Cl)C

InChI

InChI=1S/C27H21ClN4O6/c1-13-10-20(21(33)12-37-27(36)24-14(2)19-11-16(28)8-9-22(19)38-24)15(3)32(13)31-26(35)23-17-6-4-5-7-18(17)25(34)30-29-23/h4-11H,12H2,1-3H3,(H,30,34)(H,31,35)