[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C21H24N4O7 MolecularWeight: 444.43786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O7/c1-3-31-18-12-15(16(25(28)29)13-17(18)30-2)21(27)32-14-20(26)24-10-8-23(9-11-24)19-6-4-5-7-22-19/h4-7,12-13H,3,8-11,14H2,1-2H3