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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C20H18ClN3O5/c1-12-15(21)7-4-8-16(12)22-17(26)11-29-20(28)18-13-5-2-3-6-14(13)19(27)24(23-18)9-10-25/h2-8,25H,9-11H2,1H3,(H,22,26)