3-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl]phthalazine-1-carboxylic acid Formula: C20H13N5O6S MolecularWeight: 451.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H13N5O6S/c26-16(9-24-18(27)14-7-2-1-6-13(14)17(23-24)19(28)29)22-20-21-15(10-32-20)11-4-3-5-12(8-11)25(30)31/h1-8,10H,9H2,(H,28,29)(H,21,22,26)