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

Systemtic Name: [2-[[2,3-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-(2,3-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dichloroanilino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(2,3-dichloroanilino)-2-keto-ethyl] ester Formula: C23H23Cl2N3O4 MolecularWeight: 476.35242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C23H23Cl2N3O4/c1-2-3-4-7-13-28-22(30)16-10-6-5-9-15(16)21(27-28)23(31)32-14-19(29)26-18-12-8-11-17(24)20(18)25/h5-6,8-12H,2-4,7,13-14H2,1H3,(H,26,29)