[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c24-20(22-16-7-3-1-4-8-16)14-28-21(25)15-11-12-19(18(13-15)23(26)27)29-17-9-5-2-6-10-17/h2,5-6,9-13,16H,1,3-4,7-8,14H2,(H,22,24)