(4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-5-nitro-3,4-dihydropyrazole

Systemtic Name: (4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-5-nitro-3,4-dihydropyrazole Openeye Name: (4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-5-nitro-3,4-dihydropyrazole CAS Name: (4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-5-nitro-3,4-dihydropyrazole IUPAC Name: (4S,5R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-5-nitro-3,4-dihydropyrazole Traditional Name: (3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-3-nitro-1-pyrazoline Formula: C9H15N3O4 MolecularWeight: 229.2331

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C2CN=NC2(C)[N+](=O)[O-])C

Isomeric SMILES

C[C@]1([C@H](CN=N1)[C@H]2COC(O2)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C9H15N3O4/c1-8(2)15-5-7(16-8)6-4-10-11-9(6,3)12(13)14/h6-7H,4-5H2,1-3H3/t6-,7-,9-/m1/s1