[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)NC2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O6/c1-14-11-15(9-10-17(14)23(27)28)20(26)21-12-19(25)29-13-18(24)22-16-7-5-3-2-4-6-8-16/h9-11,16H,2-8,12-13H2,1H3,(H,21,26)(H,22,24)