3-[(2S)-3-azaniumyl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[(2S)-3-azaniumyl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[(2S)-3-azaniumyl-2-hydroxy-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[(2S)-3-ammonio-2-hydroxypropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[(2S)-3-azaniumyl-2-hydroxypropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[(2S)-3-ammonio-2-hydroxy-propyl]-4-keto-phthalazin-1-olate Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(C[NH3+])O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C[C@H](C[NH3+])O)[O-]

InChI

InChI=1S/C11H13N3O3/c12-5-7(15)6-14-11(17)9-4-2-1-3-8(9)10(16)13-14/h1-4,7,15H,5-6,12H2,(H,13,16)/t7-/m0/s1