(3-methyl-2-nitro-phenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate

Systemtic Name: (3-methyl-2-nitro-phenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate Openeye Name: (3-methyl-2-nitro-phenyl)methyl 4-[(2-methoxy-1-naphthyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazinecarboxylic acid (3-methyl-2-nitrophenyl)methyl ester IUPAC Name: (3-methyl-2-nitrophenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-methoxy-1-naphthyl)methyl]piperazine-1-carboxylic acid (3-methyl-2-nitro-benzyl) ester Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC(=O)N2CCN(CC2)CC3=C(C=CC4=CC=CC=C43)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)COC(=O)N2CCN(CC2)CC3=C(C=CC4=CC=CC=C43)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O5/c1-18-6-5-8-20(24(18)28(30)31)17-33-25(29)27-14-12-26(13-15-27)16-22-21-9-4-3-7-19(21)10-11-23(22)32-2/h3-11H,12-17H2,1-2H3