2-(2,6-diethylphenyl)-7-nitro-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(2,6-diethylphenyl)-7-nitro-4H-isoquinoline-1,3-dione Openeye Name: 2-(2,6-diethylphenyl)-7-nitro-4H-isoquinoline-1,3-dione CAS Name: 2-(2,6-diethylphenyl)-7-nitro-4H-isoquinoline-1,3-dione IUPAC Name: 2-(2,6-diethylphenyl)-7-nitro-4H-isoquinoline-1,3-dione Traditional Name: 2-(2,6-diethylphenyl)-7-nitro-4H-isoquinoline-1,3-quinone Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)CC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)CC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4/c1-3-12-6-5-7-13(4-2)18(12)20-17(22)10-14-8-9-15(21(24)25)11-16(14)19(20)23/h5-9,11H,3-4,10H2,1-2H3