(E)-3-(1-methyl-3-nitro-pyrazol-4-yl)-N-(pyrrolidin-1-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(1-methyl-3-nitro-pyrazol-4-yl)-N-(pyrrolidin-1-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(1-methyl-3-nitro-pyrazol-4-yl)-N-(pyrrolidin-1-ylmethyl)prop-2-enamide CAS Name: (E)-3-(1-methyl-3-nitro-4-pyrazolyl)-N-(1-pyrrolidinylmethyl)-2-propenamide IUPAC Name: (E)-3-(1-methyl-3-nitropyrazol-4-yl)-N-(pyrrolidin-1-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(1-methyl-3-nitro-pyrazol-4-yl)-N-(pyrrolidinomethyl)acrylamide Formula: C12H17N5O3 MolecularWeight: 279.29508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)[N+](=O)[O-])C=CC(=O)NCN2CCCC2

Isomeric SMILES

CN1C=C(C(=N1)[N+](=O)[O-])/C=C/C(=O)NCN2CCCC2

InChI

InChI=1S/C12H17N5O3/c1-15-8-10(12(14-15)17(19)20)4-5-11(18)13-9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,13,18)/b5-4+