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

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-nitro-benzamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-nitro-benzamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-nitrobenzamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-nitro-benzamide Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CN3C=CN=C3

InChI

InChI=1S/C17H14N4O3/c22-17(14-4-6-16(7-5-14)21(23)24)19-15-3-1-2-13(10-15)11-20-9-8-18-12-20/h1-10,12H,11H2,(H,19,22)