ethyl 2-[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(4-bromoanilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(4-bromoanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[2-(4-bromoanilino)-2-keto-ethyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-2-28-19(26)11-17-15-5-3-4-6-16(15)20(27)24(23-17)12-18(25)22-14-9-7-13(21)8-10-14/h3-10H,2,11-12H2,1H3,(H,22,25)