N-(2-methoxy-5-nitro-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCC2

InChI

InChI=1S/C13H17N3O4/c1-20-12-5-4-10(16(18)19)8-11(12)14-13(17)9-15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17)/p+1