(3-chloranyl-4,5-dimethoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C18H19ClN4O5 MolecularWeight: 406.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H19ClN4O5/c1-27-15-10-12(9-14(19)17(15)28-2)18(24)22-7-5-21(6-8-22)13-3-4-16(20-11-13)23(25)26/h3-4,9-11H,5-8H2,1-2H3