4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitro-benzoate

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitro-benzoate Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitro-benzoate CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-3,5-dinitrobenzoate IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]-3,5-dinitro-benzoate Formula: C18H17N4O7- MolecularWeight: 401.35018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7/c1-29-16-5-3-2-4-13(16)19-6-8-20(9-7-19)17-14(21(25)26)10-12(18(23)24)11-15(17)22(27)28/h2-5,10-11H,6-9H2,1H3,(H,23,24)/p-1