[4-(6-diazanylpyridin-3-yl)carbonyloxy-4-oxidanylidene-butanimidoyl] 6-diazanylpyridine-3-carboxylate; 2-methanoylbenzenesulfonic acid

Systemtic Name: [4-(6-diazanylpyridin-3-yl)carbonyloxy-4-oxidanylidene-butanimidoyl] 6-diazanylpyridine-3-carboxylate; 2-methanoylbenzenesulfonic acid Openeye Name: 2-formylbenzenesulfonic acid; [4-(6-hydrazinopyridine-3-carbonyl)oxy-4-oxo-butanimidoyl] 6-hydrazinopyridine-3-carboxylate CAS Name: 2-formylbenzenesulfonic acid; 6-hydrazinyl-3-pyridinecarboxylic acid [4-[(6-hydrazinyl-3-pyridinyl)-oxomethoxy]-1-imino-4-oxobutyl] ester IUPAC Name: 2-formylbenzenesulfonic acid; [4-(6-hydrazinylpyridine-3-carbonyl)oxy-4-oxobutanimidoyl] 6-hydrazinylpyridine-3-carboxylate Traditional Name: 2-formylbesylic acid; 6-hydrazinonicotinic acid [4-(6-hydrazinonicotinoyl)oxy-4-keto-butanimidoyl] ester Formula: C23H23N7O9S MolecularWeight: 573.53522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)S(=O)(=O)O.C1=CC(=NC=C1C(=O)OC(=N)CCC(=O)OC(=O)C2=CN=C(C=C2)NN)NN

Isomeric SMILES

C1=CC=C(C(=C1)C=O)S(=O)(=O)O.C1=CC(=NC=C1C(=O)OC(=N)CCC(=O)OC(=O)C2=CN=C(C=C2)NN)NN

InChI

InChI=1S/C16H17N7O5.C7H6O4S/c17-11(27-15(25)9-1-4-12(22-18)20-7-9)3-6-14(24)28-16(26)10-2-5-13(23-19)21-8-10;8-5-6-3-1-2-4-7(6)12(9,10)11/h1-2,4-5,7-8,17H,3,6,18-19H2,(H,20,22)(H,21,23);1-5H,(H,9,10,11)