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

Systemtic Name: 3-[[4-(2,2-dimethylpropoxy)-3-nitro-phenyl]methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-(2,2-dimethylpropoxy)-3-nitro-phenyl]methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-(2,2-dimethylpropoxy)-3-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-(2,2-dimethylpropoxy)-3-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(4-neopentyloxy-3-nitro-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-20(2,3)12-29-17-9-8-13(10-16(17)24(27)28)11-21-23-18(25)14-6-4-5-7-15(14)22-19(23)26/h4-11H,12H2,1-3H3,(H,22,26)