methyl 3,5-dinitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3,5-dinitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate Openeye Name: methyl 3,5-dinitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate CAS Name: 3,5-dinitro-4-[4-(4-nitrophenyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate Traditional Name: 3,5-dinitro-4-[4-(4-nitrophenyl)piperazino]benzoic acid methyl ester Formula: C18H17N5O8 MolecularWeight: 431.35628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O8/c1-31-18(24)12-10-15(22(27)28)17(16(11-12)23(29)30)20-8-6-19(7-9-20)13-2-4-14(5-3-13)21(25)26/h2-5,10-11H,6-9H2,1H3