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

Systemtic Name: azanium 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitro-benzoate Openeye Name: ammonium 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitro-benzoate CAS Name: ammonium 4-[4-(2-methoxyphenyl)-1-piperazinyl]-3,5-dinitrobenzoate IUPAC Name: azanium 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate Traditional Name: ammonium 4-[4-(2-methoxyphenyl)piperazino]-3,5-dinitro-benzoate Formula: C18H21N5O7 MolecularWeight: 419.38864

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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-].[NH4+]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-].[NH4+]

InChI

InChI=1S/C18H18N4O7.H3N/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);1H3