3-(butoxymethyl)-5-nitro-isoquinoline

Systemtic Name: 3-(butoxymethyl)-5-nitro-isoquinoline Openeye Name: 3-(butoxymethyl)-5-nitro-isoquinoline CAS Name: 3-(butoxymethyl)-5-nitroisoquinoline IUPAC Name: 3-(butoxymethyl)-5-nitroisoquinoline Traditional Name: 3-(butoxymethyl)-5-nitro-isoquinoline Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=NC=C2C=CC=C(C2=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCOCC1=NC=C2C=CC=C(C2=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-2-3-7-19-10-12-8-13-11(9-15-12)5-4-6-14(13)16(17)18/h4-6,8-9H,2-3,7,10H2,1H3