[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C24H27N3O5/c1-16-11-13-26(14-12-16)21-10-9-19(27(30)31)15-20(21)24(29)32-22(17-5-3-2-4-6-17)23(28)25-18-7-8-18/h2-6,9-10,15-16,18,22H,7-8,11-14H2,1H3,(H,25,28)