ethyl 2-[2-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[3-(3-chloro-4-methoxy-phenyl)-4-oxo-phthalazine-1-carbonyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[[3-(3-chloro-4-methoxyphenyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-phthalazine-1-carbonyl]amino]acetyl]amino]acetic acid ethyl ester Formula: C22H21ClN4O6 MolecularWeight: 472.87834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H21ClN4O6/c1-3-33-19(29)12-24-18(28)11-25-21(30)20-14-6-4-5-7-15(14)22(31)27(26-20)13-8-9-17(32-2)16(23)10-13/h4-10H,3,11-12H2,1-2H3,(H,24,28)(H,25,30)