(2-methoxy-5-nitro-phenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H20N2O7S MolecularWeight: 444.4577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O7S/c1-29-20-9-7-18(23(25)26)12-17(20)14-30-21(24)10-11-22-31(27,28)19-8-6-15-4-2-3-5-16(15)13-19/h2-9,12-13,22H,10-11,14H2,1H3