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

Systemtic Name: methyl 2-[2-[[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]ethanoylamino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19ClN4O6 MolecularWeight: 458.85176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NCC(=O)OC)Cl

InChI

InChI=1S/C21H19ClN4O6/c1-31-16-8-7-12(9-15(16)22)26-21(30)14-6-4-3-5-13(14)19(25-26)20(29)24-10-17(27)23-11-18(28)32-2/h3-9H,10-11H2,1-2H3,(H,23,27)(H,24,29)