3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzamide

Systemtic Name: 3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzamide Openeye Name: 3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]benzamide CAS Name: 3-nitro-4-[(2S)-2-(3-pyridinyl)-1-pyrrolidinyl]benzamide IUPAC Name: 3-nitro-4-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]benzamide Traditional Name: 3-nitro-4-[(2S)-2-(3-pyridyl)pyrrolidino]benzamide Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

C1C[C@H](N(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C16H16N4O3/c17-16(21)11-5-6-14(15(9-11)20(22)23)19-8-2-4-13(19)12-3-1-7-18-10-12/h1,3,5-7,9-10,13H,2,4,8H2,(H2,17,21)/t13-/m0/s1