ethyl 2-[3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[[4-(4-nitrophenyl)thiazol-2-yl]methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[[4-(4-nitrophenyl)-2-thiazolyl]methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[[4-(4-nitrophenyl)thiazol-2-yl]methyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-2-31-21(27)11-18-16-5-3-4-6-17(16)22(28)25(24-18)12-20-23-19(13-32-20)14-7-9-15(10-8-14)26(29)30/h3-10,13H,2,11-12H2,1H3