4-(4-chloranyl-2-nitro-phenyl)-N-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-[(6-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-[(6-methoxy-3-pyridyl)methyl]piperazine-1-carboxamide Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CNC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=C(C=C1)CNC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN5O4/c1-28-17-5-2-13(11-20-17)12-21-18(25)23-8-6-22(7-9-23)15-4-3-14(19)10-16(15)24(26)27/h2-5,10-11H,6-9,12H2,1H3,(H,21,25)