[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32)Br

InChI

InChI=1S/C19H16BrN3O4/c1-11-8-12(6-7-15(11)20)21-17(24)10-27-18(25)9-16-13-4-2-3-5-14(13)19(26)23-22-16/h2-8H,9-10H2,1H3,(H,21,24)(H,23,26)