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

Systemtic Name: 3-[[5-chloranyl-2-(2,2-dimethylpropoxy)-3-nitro-phenyl]methylideneamino]-1H-quinazoline-2,4-dione Openeye Name: 3-[[5-chloro-2-(2,2-dimethylpropoxy)-3-nitro-phenyl]methyleneamino]-1H-quinazoline-2,4-dione CAS Name: 3-[[5-chloro-2-(2,2-dimethylpropoxy)-3-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[5-chloro-2-(2,2-dimethylpropoxy)-3-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione Traditional Name: 3-[(5-chloro-2-neopentyloxy-3-nitro-benzylidene)amino]-1H-quinazoline-2,4-quinone Formula: C20H19ClN4O5 MolecularWeight: 430.84166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1C=NN2C(=O)C3=CC=CC=C3NC2=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O5/c1-20(2,3)11-30-17-12(8-13(21)9-16(17)25(28)29)10-22-24-18(26)14-6-4-5-7-15(14)23-19(24)27/h4-10H,11H2,1-3H3,(H,23,27)