1-[3-(2-methyl-5-nitro-imidazol-1-yl)propoxy]isoquinoline

Systemtic Name: 1-[3-(2-methyl-5-nitro-imidazol-1-yl)propoxy]isoquinoline Openeye Name: 1-[3-(2-methyl-5-nitro-imidazol-1-yl)propoxy]isoquinoline CAS Name: 1-[3-(2-methyl-5-nitro-1-imidazolyl)propoxy]isoquinoline IUPAC Name: 1-[3-(2-methyl-5-nitroimidazol-1-yl)propoxy]isoquinoline Traditional Name: 1-[3-(2-methyl-5-nitro-imidazol-1-yl)propoxy]isoquinoline Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCCOC2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCCOC2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3/c1-12-18-11-15(20(21)22)19(12)9-4-10-23-16-14-6-3-2-5-13(14)7-8-17-16/h2-3,5-8,11H,4,9-10H2,1H3