[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5/c1-20-15-6-5-14(12-16(15)24(27)28)19(26)29-13-18(25)23-10-8-22(9-11-23)17-4-2-3-7-21-17/h2-7,12,20H,8-11,13H2,1H3