[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C21H15N5O6S MolecularWeight: 465.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H15N5O6S/c1-11(32-20(29)17-14-7-2-3-8-15(14)19(28)25-24-17)18(27)23-21-22-16(10-33-21)12-5-4-6-13(9-12)26(30)31/h2-11H,1H3,(H,25,28)(H,22,23,27)