4-nitro-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]benzamide

Systemtic Name: 4-nitro-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]benzamide Openeye Name: 4-nitro-N-[(3-pyrrol-1-yl-2-thienyl)methyl]benzamide CAS Name: 4-nitro-N-[[3-(1-pyrrolyl)-2-thiophenyl]methyl]benzamide IUPAC Name: 4-nitro-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]benzamide Traditional Name: 4-nitro-N-[(3-pyrrol-1-yl-2-thienyl)methyl]benzamide Formula: C16H13N3O3S MolecularWeight: 327.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c20-16(12-3-5-13(6-4-12)19(21)22)17-11-15-14(7-10-23-15)18-8-1-2-9-18/h1-10H,11H2,(H,17,20)