[(E)-(2-cyclohexylsulfanyl-5-nitro-phenyl)methylideneamino] 4-chloranylbenzoate

Systemtic Name: [(E)-(2-cyclohexylsulfanyl-5-nitro-phenyl)methylideneamino] 4-chloranylbenzoate Openeye Name: [(E)-(2-cyclohexylsulfanyl-5-nitro-phenyl)methyleneamino] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(E)-[2-(cyclohexylthio)-5-nitrophenyl]methylideneamino] ester IUPAC Name: [(E)-(2-cyclohexylsulfanyl-5-nitrophenyl)methylideneamino] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(E)-[2-(cyclohexylthio)-5-nitro-benzylidene]amino] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NOC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=N/OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O4S/c21-16-8-6-14(7-9-16)20(24)27-22-13-15-12-17(23(25)26)10-11-19(15)28-18-4-2-1-3-5-18/h6-13,18H,1-5H2/b22-13+