[1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(3,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H15Cl2N3O4 MolecularWeight: 420.2461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H15Cl2N3O4/c1-10(17(25)22-13-8-11(20)7-12(21)9-13)28-19(27)16-14-5-3-4-6-15(14)18(26)24(2)23-16/h3-10H,1-2H3,(H,22,25)