N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-(3-pyridinyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-5-(3-pyridyl)isoxazole-3-carboxamide Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=NOC(=C2)C3=CN=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=NOC(=C2)C3=CN=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H18N4O6/c1-27-17-8-12(15(23(25)26)10-18(17)28-2)5-7-21-19(24)14-9-16(29-22-14)13-4-3-6-20-11-13/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,24)