N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide

Systemtic Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Openeye Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide CAS Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-(6-nitro-3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-(6-nitropyridin-3-yl)piperazine-1-carboxamide Traditional Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide Formula: C18H18F3N5O4 MolecularWeight: 425.36183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N5O4/c1-30-13-3-4-15(14(10-13)18(19,20)21)23-17(27)25-8-6-24(7-9-25)12-2-5-16(22-11-12)26(28)29/h2-5,10-11H,6-9H2,1H3,(H,23,27)