ethyl 4-(4-methylpiperazin-1-yl)-3,5-dinitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCN(CC2)C)[N+](=O)[O-]

InChI

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