3-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(5-nosylthiazol-2-yl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C20H13N5O8S2 MolecularWeight: 515.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H13N5O8S2/c26-15(10-24-18(27)14-4-2-1-3-13(14)17(23-24)19(28)29)22-20-21-9-16(34-20)35(32,33)12-7-5-11(6-8-12)25(30)31/h1-9H,10H2,(H,28,29)(H,21,22,26)