N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(2,4-dichlorobenzyl)pyrazol-3-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H19Cl2N5O3 MolecularWeight: 460.31326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19Cl2N5O3/c22-16-5-3-15(17(23)12-16)13-27-20(7-8-24-27)25-21(29)14-4-6-18(19(11-14)28(30)31)26-9-1-2-10-26/h3-8,11-12H,1-2,9-10,13H2,(H,25,29)