3-nitro-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide

Systemtic Name: 3-nitro-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide Openeye Name: 3-nitro-4-[[2-(3-thienyl)pyrrolidin-1-yl]methyl]benzamide CAS Name: 3-nitro-4-[[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]benzamide IUPAC Name: 3-nitro-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide Traditional Name: 3-nitro-4-[[2-(3-thienyl)pyrrolidino]methyl]benzamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

C1CC(N(C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C16H17N3O3S/c17-16(20)11-3-4-12(15(8-11)19(21)22)9-18-6-1-2-14(18)13-5-7-23-10-13/h3-5,7-8,10,14H,1-2,6,9H2,(H2,17,20)