5-[(2S)-2-(3-chlorophenyl)-3-nitro-propyl]-3-methyl-4-nitro-1,2-oxazole

Systemtic Name: 5-[(2S)-2-(3-chlorophenyl)-3-nitro-propyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[(2S)-2-(3-chlorophenyl)-3-nitro-propyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[(2S)-2-(3-chlorophenyl)-3-nitropropyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[(2S)-2-(3-chlorophenyl)-3-nitropropyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[(2S)-2-(3-chlorophenyl)-3-nitro-propyl]-3-methyl-4-nitro-isoxazole Formula: C13H12ClN3O5 MolecularWeight: 325.70448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])CC(C[N+](=O)[O-])C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])C[C@H](C[N+](=O)[O-])C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H12ClN3O5/c1-8-13(17(20)21)12(22-15-8)6-10(7-16(18)19)9-3-2-4-11(14)5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1