4-[4-(2-chloranyl-6-methoxy-4-nitro-phenyl)-3,5-bis(oxidanylidene)cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-chloranyl-6-methoxy-4-nitro-phenyl)-3,5-bis(oxidanylidene)cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-(2-chloro-6-methoxy-4-nitro-phenyl)-3,5-dioxo-cyclohexyl]benzonitrile CAS Name: 4-[4-(2-chloro-6-methoxy-4-nitrophenyl)-3,5-dioxocyclohexyl]benzonitrile IUPAC Name: 4-[4-(2-chloro-6-methoxy-4-nitrophenyl)-3,5-dioxocyclohexyl]benzonitrile Traditional Name: 4-[4-(2-chloro-6-methoxy-4-nitro-phenyl)-3,5-diketo-cyclohexyl]benzonitrile Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)C2C(=O)CC(CC2=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])Cl)C2C(=O)CC(CC2=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15ClN2O5/c1-28-18-9-14(23(26)27)8-15(21)19(18)20-16(24)6-13(7-17(20)25)12-4-2-11(10-22)3-5-12/h2-5,8-9,13,20H,6-7H2,1H3