[(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] 4-chloranylbenzoate

Systemtic Name: [(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl] 4-chloranylbenzoate Openeye Name: [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] ester IUPAC Name: [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl] ester Formula: C21H16Cl2N2O5 MolecularWeight: 447.26814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C(/C1=C(C=C(C=C1)Cl)[N+](=O)[O-])\OC(=O)C2=CC=C(C=C2)Cl)/C#N

InChI

InChI=1S/C21H16Cl2N2O5/c1-21(2,3)19(26)16(11-24)18(15-9-8-14(23)10-17(15)25(28)29)30-20(27)12-4-6-13(22)7-5-12/h4-10H,1-3H3/b18-16-