3-[[4-(2,2-dimethylpropoxy)-3-ethoxy-5-nitro-phenyl]methylideneamino]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[4-(2,2-dimethylpropoxy)-3-ethoxy-5-nitro-phenyl]methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-(2,2-dimethylpropoxy)-3-ethoxy-5-nitro-phenyl]methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-(2,2-dimethylpropoxy)-3-ethoxy-5-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-(2,2-dimethylpropoxy)-3-ethoxy-5-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(3-ethoxy-4-neopentyloxy-5-nitro-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC(C)(C)C)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC(C)(C)C)[N+](=O)[O-])C=NN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C22H24N4O6/c1-5-31-18-11-14(10-17(26(29)30)19(18)32-13-22(2,3)4)12-23-25-20(27)15-8-6-7-9-16(15)24-21(25)28/h6-12H,5,13H2,1-4H3,(H,24,28)