2-(2,4-dimethyl-5-nitro-phenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(2,4-dimethyl-5-nitro-phenyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(2,4-dimethyl-5-nitro-phenyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(2,4-dimethyl-5-nitrophenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dimethyl-5-nitrophenyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethyl-5-nitro-phenyl)-4H-isoquinoline-1,3-quinone Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C(=O)CC3=CC=CC=C3C2=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1N2C(=O)CC3=CC=CC=C3C2=O)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N2O4/c1-10-7-11(2)15(19(22)23)9-14(10)18-16(20)8-12-5-3-4-6-13(12)17(18)21/h3-7,9H,8H2,1-2H3