N-(2-methoxy-5-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C21H20N3O4+ MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4/c1-28-20-8-7-18(24(26)27)14-19(20)22-21(25)15-23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3/p+1