N-[3-(diethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(diethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(diethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[diethylamino(oxo)methyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(diethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(diethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-3-24(4-2)22(28)17-8-7-9-18(14-17)23-21(27)16-10-11-19(20(15-16)26(29)30)25-12-5-6-13-25/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,23,27)