5-bromanyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-3-nitro-6-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-3-nitro-6-oxidanyl-benzamide Openeye Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-5-nitro-benzamide CAS Name: 3-bromo-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxy-5-nitrobenzamide IUPAC Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-5-nitrobenzamide Traditional Name: 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-5-nitro-benzamide Formula: C15H20BrN3O5 MolecularWeight: 402.2404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2O)Br)[N+](=O)[O-])OC

Isomeric SMILES

CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2O)Br)[N+](=O)[O-])OC

InChI

InChI=1S/C15H20BrN3O5/c1-3-18-6-4-5-9(18)8-17-15(21)12-13(20)10(16)7-11(19(22)23)14(12)24-2/h7,9,20H,3-6,8H2,1-2H3,(H,17,21)/t9-/m0/s1