(2-cyclohexyl-2-oxidanylidene-ethyl) 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (2-cyclohexyl-2-oxidanylidene-ethyl) 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: (2-cyclohexyl-2-oxo-ethyl) 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid (2-cyclohexyl-2-oxoethyl) ester IUPAC Name: (2-cyclohexyl-2-oxoethyl) 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid (2-cyclohexyl-2-keto-ethyl) ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN2O6/c23-18-12-15(25(29)30)10-11-16(18)21(27)24-19-9-5-4-8-17(19)22(28)31-13-20(26)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,27)