[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H33N3O5/c1-17-11-13-25(14-12-17)20-10-9-18(15-21(20)26(29)30)23(28)31-16-22(27)24-19-7-5-3-2-4-6-8-19/h9-10,15,17,19H,2-8,11-14,16H2,1H3,(H,24,27)