3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

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