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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C18H14BrN3O4 MolecularWeight: 416.22546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)Br

InChI

InChI=1S/C18H14BrN3O4/c1-10-8-11(6-7-14(10)19)20-15(23)9-26-18(25)16-12-4-2-3-5-13(12)17(24)22-21-16/h2-8H,9H2,1H3,(H,20,23)(H,22,24)