5-[3-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methylamino]-3-oxidanylidene-propyl]-1,2-oxazol-3-olate

Systemtic Name: 5-[3-[[(3R)-1-(1-methyl-6-oxidanylidene-pyridazin-4-yl)pyrrolidin-3-yl]methylamino]-3-oxidanylidene-propyl]-1,2-oxazol-3-olate Openeye Name: 5-[3-[[(3R)-1-(1-methyl-6-oxo-pyridazin-4-yl)pyrrolidin-3-yl]methylamino]-3-oxo-propyl]isoxazol-3-olate CAS Name: 5-[3-[[(3R)-1-(1-methyl-6-oxo-4-pyridazinyl)-3-pyrrolidinyl]methylamino]-3-oxopropyl]-3-isoxazololate IUPAC Name: 5-[3-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-3-oxopropyl]-1,2-oxazol-3-olate Traditional Name: 5-[3-keto-3-[[(3R)-1-(6-keto-1-methyl-pyridazin-4-yl)pyrrolidin-3-yl]methylamino]propyl]isoxazol-3-olate Formula: C16H20N5O4- MolecularWeight: 346.3611

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCC(C2)CNC(=O)CCC3=CC(=NO3)[O-]

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[C@@H](C2)CNC(=O)CCC3=CC(=NO3)[O-]

InChI

InChI=1S/C16H21N5O4/c1-20-16(24)6-12(9-18-20)21-5-4-11(10-21)8-17-14(22)3-2-13-7-15(23)19-25-13/h6-7,9,11H,2-5,8,10H2,1H3,(H,17,22)(H,19,23)/p-1/t11-/m1/s1