[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H15Cl2N3O4 MolecularWeight: 420.2461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)Cl

InChI

InChI=1S/C19H15Cl2N3O4/c1-10-7-8-13(20)17(15(10)21)22-14(25)9-28-19(27)16-11-5-3-4-6-12(11)18(26)24(2)23-16/h3-8H,9H2,1-2H3,(H,22,25)