pyridin-3-ylmethyl N-[[4-[(5-methoxy-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: pyridin-3-ylmethyl N-[[4-[(5-methoxy-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate Openeye Name: 3-pyridylmethyl N-[[4-[(5-methoxy-2-nitro-phenyl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[(5-methoxy-2-nitroanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[[4-[(5-methoxy-2-nitrophenyl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(5-methoxy-2-nitro-phenyl)carbamoyl]benzyl]carbamic acid 3-pyridylmethyl ester Formula: C22H20N4O6 MolecularWeight: 436.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C22H20N4O6/c1-31-18-8-9-20(26(29)30)19(11-18)25-21(27)17-6-4-15(5-7-17)13-24-22(28)32-14-16-3-2-10-23-12-16/h2-12H,13-14H2,1H3,(H,24,28)(H,25,27)