5-[(E)-2-[5-(1-adamantyl)-2-methoxy-phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole

Systemtic Name: 5-[(E)-2-[5-(1-adamantyl)-2-methoxy-phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole Openeye Name: 5-[(E)-2-[5-(1-adamantyl)-2-methoxy-phenyl]vinyl]-3-methyl-4-nitro-isoxazole CAS Name: 5-[(E)-2-[5-(1-adamantyl)-2-methoxyphenyl]ethenyl]-3-methyl-4-nitroisoxazole IUPAC Name: 5-[(E)-2-[5-(1-adamantyl)-2-methoxyphenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole Traditional Name: 5-[(E)-2-[5-(1-adamantyl)-2-methoxy-phenyl]vinyl]-3-methyl-4-nitro-isoxazole Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])/C=C/C2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C23H26N2O4/c1-14-22(25(26)27)21(29-24-14)5-3-18-10-19(4-6-20(18)28-2)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,10,15-17H,7-9,11-13H2,1-2H3/b5-3+