1-(1,3-dioxolan-2-yl)-4-methyl-5-nitro-isoquinoline

Systemtic Name: 1-(1,3-dioxolan-2-yl)-4-methyl-5-nitro-isoquinoline Openeye Name: 1-(1,3-dioxolan-2-yl)-4-methyl-5-nitro-isoquinoline CAS Name: 1-(1,3-dioxolan-2-yl)-4-methyl-5-nitroisoquinoline IUPAC Name: 1-(1,3-dioxolan-2-yl)-4-methyl-5-nitroisoquinoline Traditional Name: 1-(1,3-dioxolan-2-yl)-4-methyl-5-nitro-isoquinoline Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)[N+](=O)[O-])C3OCCO3

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)[N+](=O)[O-])C3OCCO3

InChI

InChI=1S/C13H12N2O4/c1-8-7-14-12(13-18-5-6-19-13)9-3-2-4-10(11(8)9)15(16)17/h2-4,7,13H,5-6H2,1H3