naphthalen-1-ylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: naphthalen-1-ylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 1-naphthylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 1-naphthylmethyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O4/c25-22(28-15-18-8-5-7-16-6-1-2-9-19(16)18)17-10-11-20(21(14-17)24(26)27)23-12-3-4-13-23/h1-2,5-11,14H,3-4,12-13,15H2