4-[(2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-hydroxy-propoxy]benzonitrile Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(COC2=CC=C(C=C2)C#N)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[C@H](COC2=CC=C(C=C2)C#N)O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4/c1-10-15(19(21)22)11(2)18(17-10)8-13(20)9-23-14-5-3-12(7-16)4-6-14/h3-6,13,20H,8-9H2,1-2H3/t13-/m1/s1