N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-(1-imidazolylmethyl)phenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dinitro-benzamide Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5/c23-17(15-6-5-14(21(24)25)9-16(15)22(26)27)19-13-3-1-12(2-4-13)10-20-8-7-18-11-20/h1-9,11H,10H2,(H,19,23)