6-(1-imidazol-1-yl-3-methyl-butan-2-yl)oxy-5-nitro-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-(1-imidazol-1-yl-3-methyl-butan-2-yl)oxy-5-nitro-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-[1-(imidazol-1-ylmethyl)-2-methyl-propoxy]-5-nitro-tetralin-1-one CAS Name: 6-[1-(1-imidazolyl)-3-methylbutan-2-yl]oxy-5-nitro-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(1-imidazol-1-yl-3-methylbutan-2-yl)oxy-5-nitro-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-[1-(imidazol-1-ylmethyl)-2-methyl-propoxy]-5-nitro-tetralin-1-one Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1C=CN=C1)OC2=C(C3=C(C=C2)C(=O)CCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(CN1C=CN=C1)OC2=C(C3=C(C=C2)C(=O)CCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-12(2)17(10-20-9-8-19-11-20)25-16-7-6-13-14(18(16)21(23)24)4-3-5-15(13)22/h6-9,11-12,17H,3-5,10H2,1-2H3