[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C19H15Cl2N3O5 MolecularWeight: 436.2455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H15Cl2N3O5/c20-14-6-5-11(9-15(14)21)22-16(26)10-29-19(28)17-12-3-1-2-4-13(12)18(27)24(23-17)7-8-25/h1-6,9,25H,7-8,10H2,(H,22,26)