N-[(4-cyanophenyl)methyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[(4-cyanophenyl)methyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[(4-cyanophenyl)methyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[(4-cyanophenyl)methyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-(4-cyanobenzyl)-4-imidazol-1-yl-3-nitro-benzamide Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H13N5O3/c19-10-13-1-3-14(4-2-13)11-21-18(24)15-5-6-16(17(9-15)23(25)26)22-8-7-20-12-22/h1-9,12H,11H2,(H,21,24)