N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-3-nitro-benzamide CAS Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)phenyl]-3-nitro-benzamide Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1N(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1N(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c25-20(15-2-1-3-19(14-15)24(26)27)21-16-4-6-17(7-5-16)23-13-12-22-10-8-18(23)9-11-22/h1-7,14,18H,8-13H2,(H,21,25)