methyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitro-benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3,5-dinitrobenzoate Traditional Name: 4-(4-ethylpiperazino)-3,5-dinitro-benzoic acid methyl ester Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O6/c1-3-15-4-6-16(7-5-15)13-11(17(20)21)8-10(14(19)24-2)9-12(13)18(22)23/h8-9H,3-7H2,1-2H3