N-[5-(imidazol-1-ylmethyl)-2-nitro-phenyl]ethanamide

Systemtic Name: N-[5-(imidazol-1-ylmethyl)-2-nitro-phenyl]ethanamide Openeye Name: N-[5-(imidazol-1-ylmethyl)-2-nitro-phenyl]acetamide CAS Name: N-[5-(1-imidazolylmethyl)-2-nitrophenyl]acetamide IUPAC Name: N-[5-(imidazol-1-ylmethyl)-2-nitrophenyl]acetamide Traditional Name: N-[5-(imidazol-1-ylmethyl)-2-nitro-phenyl]acetamide Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)CN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)CN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3/c1-9(17)14-11-6-10(2-3-12(11)16(18)19)7-15-5-4-13-8-15/h2-6,8H,7H2,1H3,(H,14,17)