1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 3,5-dimethyl-4-nitro-1-[[(2R)-2-p-phenetylpyrrolidino]methyl]pyrazole Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N4O3/c1-4-25-16-9-7-15(8-10-16)17-6-5-11-20(17)12-21-14(3)18(22(23)24)13(2)19-21/h7-10,17H,4-6,11-12H2,1-3H3/t17-/m1/s1