[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O5/c1-22(2)19-9-8-17(25(28)29)14-18(19)21(27)30-15-20(26)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3