4-nitro-1-(2,4,6-trimethylphenyl)isoquinoline

Systemtic Name: 4-nitro-1-(2,4,6-trimethylphenyl)isoquinoline Openeye Name: 4-nitro-1-(2,4,6-trimethylphenyl)isoquinoline CAS Name: 4-nitro-1-(2,4,6-trimethylphenyl)isoquinoline IUPAC Name: 4-nitro-1-(2,4,6-trimethylphenyl)isoquinoline Traditional Name: 1-mesityl-4-nitro-isoquinoline Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NC=C(C3=CC=CC=C32)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NC=C(C3=CC=CC=C32)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N2O2/c1-11-8-12(2)17(13(3)9-11)18-15-7-5-4-6-14(15)16(10-19-18)20(21)22/h4-10H,1-3H3