4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzamide Openeye Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-benzamide CAS Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-nitrobenzamide IUPAC Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitrobenzamide Traditional Name: 4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-nitro-benzamide Formula: C19H19N3O5 MolecularWeight: 369.37126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H19N3O5/c20-19(23)13-3-5-15(16(10-13)22(24)25)21-7-1-2-14(21)12-4-6-17-18(11-12)27-9-8-26-17/h3-6,10-11,14H,1-2,7-9H2,(H2,20,23)/t14-/m1/s1