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

Systemtic Name: N-[3-(diethylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[3-(diethylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[3-[diethylamino(oxo)methyl]phenyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[3-(diethylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[3-(diethylcarbamoyl)phenyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-3-24(4-2)21(28)16-6-5-7-17(12-16)23-20(27)15-8-9-18(19(13-15)26(29)30)25-11-10-22-14-25/h5-14H,3-4H2,1-2H3,(H,23,27)