[2-(hydroxymethyl)-4-methylidene-pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methanone

Systemtic Name: [2-(hydroxymethyl)-4-methylidene-pyrrolidin-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methanone Openeye Name: (4-benzyloxy-5-methoxy-2-nitro-phenyl)-[2-(hydroxymethyl)-4-methylene-pyrrolidin-1-yl]methanone CAS Name: [2-(hydroxymethyl)-4-methylene-1-pyrrolidinyl]-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methanone IUPAC Name: [2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methanone Traditional Name: (4-benzoxy-5-methoxy-2-nitro-phenyl)-(4-methylene-2-methylol-pyrrolidino)methanone Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CC(=C)CC2CO)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CC(=C)CC2CO)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O6/c1-14-8-16(12-24)22(11-14)21(25)17-9-19(28-2)20(10-18(17)23(26)27)29-13-15-6-4-3-5-7-15/h3-7,9-10,16,24H,1,8,11-13H2,2H3