[(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [(1S)-2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H](C)OC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H20ClN3O4/c1-12-8-9-14(22)10-17(12)23-20(27)13(2)29-19(26)11-18-15-6-4-5-7-16(15)21(28)25(3)24-18/h4-10,13H,11H2,1-3H3,(H,23,27)/t13-/m0/s1