N-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-2-nitro-phenyl]ethanamide

Systemtic Name: N-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-2-nitro-phenyl]ethanamide Openeye Name: N-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-2-nitro-phenyl]acetamide CAS Name: N-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-2-nitrophenyl]acetamide IUPAC Name: N-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-2-nitrophenyl]acetamide Traditional Name: N-[4-(6-amidino-1H-benzimidazol-2-yl)-2-nitro-phenyl]acetamide Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3/c1-8(23)19-12-5-3-10(7-14(12)22(24)25)16-20-11-4-2-9(15(17)18)6-13(11)21-16/h2-7H,1H3,(H3,17,18)(H,19,23)(H,20,21)