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

Systemtic Name: 6-(2-imidazol-1-yl-1-pyridin-3-yl-ethoxy)-5-nitro-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-[2-imidazol-1-yl-1-(3-pyridyl)ethoxy]-5-nitro-tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-(3-pyridinyl)ethoxy]-5-nitro-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-pyridin-3-ylethoxy)-5-nitro-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-[2-imidazol-1-yl-1-(3-pyridyl)ethoxy]-5-nitro-tetralin-1-one Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4/c25-17-5-1-4-16-15(17)6-7-18(20(16)24(26)27)28-19(12-23-10-9-22-13-23)14-3-2-8-21-11-14/h2-3,6-11,13,19H,1,4-5,12H2