(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H17ClN4O4 MolecularWeight: 424.83708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O4/c1-13-17(19(22)26(23-13)14-7-3-2-4-8-14)12-30-18(27)11-25-21(29)16-10-6-5-9-15(16)20(28)24-25/h2-10H,11-12H2,1H3,(H,24,28)