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

Systemtic Name: 3-[[4-(2,2-dimethylpropoxy)-3-methoxy-5-nitro-phenyl]methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-(2,2-dimethylpropoxy)-3-methoxy-5-nitro-phenyl]methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-(2,2-dimethylpropoxy)-3-methoxy-5-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-(2,2-dimethylpropoxy)-3-methoxy-5-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(3-methoxy-4-neopentyloxy-5-nitro-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1OC)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1OC)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-21(2,3)12-31-18-16(25(28)29)9-13(10-17(18)30-4)11-22-24-19(26)14-7-5-6-8-15(14)23-20(24)27/h5-11H,12H2,1-4H3,(H,23,27)