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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C24H26ClN3O6 MolecularWeight: 487.93274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H26ClN3O6/c25-20-14-17(28(32)33)12-13-18(20)23(30)27-21-11-7-6-10-19(21)24(31)34-15-22(29)26-16-8-4-2-1-3-5-9-16/h6-7,10-14,16H,1-5,8-9,15H2,(H,26,29)(H,27,30)