N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidin-1-ium-1-yl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-pyrrolidin-1-ium-1-yl-propionamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-21-13-5-4-11(17(19)20)10-12(13)15-14(18)6-9-16-7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,15,18)/p+1