N-(2,5-dimethylpyrazol-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N5O3/c1-11-9-15(19(2)18-11)17-16(22)12-5-6-13(14(10-12)21(23)24)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,22)