1-[5-(4-nitropyridin-2-yl)-1,3-oxazol-2-yl]-7-phenyl-heptan-1-one

Systemtic Name: 1-[5-(4-nitropyridin-2-yl)-1,3-oxazol-2-yl]-7-phenyl-heptan-1-one Openeye Name: 1-[5-(4-nitro-2-pyridyl)oxazol-2-yl]-7-phenyl-heptan-1-one CAS Name: 1-[5-(4-nitro-2-pyridinyl)-2-oxazolyl]-7-phenyl-1-heptanone IUPAC Name: 1-[5-(4-nitropyridin-2-yl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one Traditional Name: 1-[5-(4-nitro-2-pyridyl)oxazol-2-yl]-7-phenyl-heptan-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)C2=NC=C(O2)C3=NC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)C2=NC=C(O2)C3=NC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c25-19(11-7-2-1-4-8-16-9-5-3-6-10-16)21-23-15-20(28-21)18-14-17(24(26)27)12-13-22-18/h3,5-6,9-10,12-15H,1-2,4,7-8,11H2