[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H13Cl2N3O4 MolecularWeight: 406.21952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O4/c19-11-6-5-10(14(20)7-11)8-21-15(24)9-27-18(26)16-12-3-1-2-4-13(12)17(25)23-22-16/h1-7H,8-9H2,(H,21,24)(H,23,25)