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

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H16IN3O4 MolecularWeight: 477.25251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H16IN3O4/c1-11-9-12(20)7-8-15(11)21-16(24)10-27-19(26)17-13-5-3-4-6-14(13)18(25)23(2)22-17/h3-9H,10H2,1-2H3,(H,21,24)