methyl (2S)-2-benzamido-3-(7-oxidanyl-5-oxidanylidene-6-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazol-4-ium-3-yl)propanoate

Systemtic Name: methyl (2S)-2-benzamido-3-(7-oxidanyl-5-oxidanylidene-6-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazol-4-ium-3-yl)propanoate Openeye Name: methyl (2S)-2-benzamido-3-(7-hydroxy-5-oxo-6-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazol-4-ium-3-yl)propanoate CAS Name: (2S)-2-benzamido-3-(7-hydroxy-5-oxo-6-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazol-4-ium-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3-(7-hydroxy-5-oxo-6-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazol-4-ium-3-yl)propanoate Traditional Name: (2S)-2-benzamido-3-(7-hydroxy-5-keto-6-phenyl-1,2-dihydropyrazolo[1,2-a]pyrazol-4-ium-3-yl)propionic acid methyl ester Formula: C23H22N3O5+ MolecularWeight: 420.43788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=[N+]2C(=O)C(=C(N2CC1)O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=[N+]2C(=O)C(=C(N2CC1)O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c1-31-23(30)18(24-20(27)16-10-6-3-7-11-16)14-17-12-13-25-21(28)19(22(29)26(17)25)15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3,(H-,24,27,28,29)/p+1/t18-/m0/s1