8,8-dimethyl-1-[(4-nitrophenyl)amino]-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione

Systemtic Name: 8,8-dimethyl-1-[(4-nitrophenyl)amino]-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione Openeye Name: 2-isopropyl-8,8-dimethyl-1-(4-nitroanilino)-6,7-dihydro-5H-phenanthrene-3,4-dione CAS Name: 8,8-dimethyl-1-(4-nitroanilino)-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione IUPAC Name: 8,8-dimethyl-1-(4-nitroanilino)-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione Traditional Name: 2-isopropyl-8,8-dimethyl-1-(4-nitroanilino)-6,7-dihydro-5H-phenanthrene-3,4-quinone Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O4/c1-14(2)20-22(26-15-7-9-16(10-8-15)27(30)31)18-11-12-19-17(6-5-13-25(19,3)4)21(18)24(29)23(20)28/h7-12,14,26H,5-6,13H2,1-4H3