3,3-dimethyl-7-nitro-4H-isoquinoline

Systemtic Name: 3,3-dimethyl-7-nitro-4H-isoquinoline Openeye Name: 3,3-dimethyl-7-nitro-4H-isoquinoline CAS Name: 3,3-dimethyl-7-nitro-4H-isoquinoline IUPAC Name: 3,3-dimethyl-7-nitro-4H-isoquinoline Traditional Name: 3,3-dimethyl-7-nitro-4H-isoquinoline Formula: C11H12N2O2 MolecularWeight: 204.22518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)[N+](=O)[O-])C=N1)C

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)[N+](=O)[O-])C=N1)C

InChI

InChI=1S/C11H12N2O2/c1-11(2)6-8-3-4-10(13(14)15)5-9(8)7-12-11/h3-5,7H,6H2,1-2H3