6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-nitro-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-nitro-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-nitro-tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-nitro-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-nitro-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-nitro-tetralin-1-one Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2[N+](=O)[O-])OC(CN3C=CN=C3)C4=CC=CC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2[N+](=O)[O-])OC(CN3C=CN=C3)C4=CC=CC=C4)C(=O)C1

InChI

InChI=1S/C21H19N3O4/c25-18-8-4-7-17-16(18)9-10-19(21(17)24(26)27)28-20(13-23-12-11-22-14-23)15-5-2-1-3-6-15/h1-3,5-6,9-12,14,20H,4,7-8,13H2