3-(diazanylmethylideneamino)-5-[[2-oxidanylidene-2-[(3-oxidanyl-3-oxidanylidene-1-pyridin-3-yl-propyl)amino]ethyl]carbamoyl]benzoic acid

Systemtic Name: 3-(diazanylmethylideneamino)-5-[[2-oxidanylidene-2-[(3-oxidanyl-3-oxidanylidene-1-pyridin-3-yl-propyl)amino]ethyl]carbamoyl]benzoic acid Openeye Name: 3-(hydrazinomethyleneamino)-5-[[2-[[3-hydroxy-3-oxo-1-(3-pyridyl)propyl]amino]-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 3-(hydrazinylmethylideneamino)-5-[[[2-[[3-hydroxy-3-oxo-1-(3-pyridinyl)propyl]amino]-2-oxoethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-(hydrazinylmethylideneamino)-5-[[2-[(3-hydroxy-3-oxo-1-pyridin-3-ylpropyl)amino]-2-oxoethyl]carbamoyl]benzoic acid Traditional Name: 3-(hydrazinomethyleneamino)-5-[[2-[[3-hydroxy-3-keto-1-(3-pyridyl)propyl]amino]-2-keto-ethyl]carbamoyl]benzoic acid Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CNC(=O)C2=CC(=CC(=C2)N=CNN)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CNC(=O)C2=CC(=CC(=C2)N=CNN)C(=O)O

InChI

InChI=1S/C19H20N6O6/c20-24-10-23-14-5-12(4-13(6-14)19(30)31)18(29)22-9-16(26)25-15(7-17(27)28)11-2-1-3-21-8-11/h1-6,8,10,15H,7,9,20H2,(H,22,29)(H,23,24)(H,25,26)(H,27,28)(H,30,31)