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

Systemtic Name: ethyl 2-[3-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrN3O4/c1-3-29-20(27)11-18-15-6-4-5-7-16(15)21(28)25(24-18)12-19(26)23-17-9-8-14(22)10-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,23,26)