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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=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)15-5-8-17(9-6-15)23-20(27)16-7-10-18(19(13-16)26(29)30)25-12-11-22-14-25/h5-14H,3-4H2,1-2H3,(H,23,27)