methyl 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]-3-nitro-benzoic acid methyl ester Formula: C19H16F3N5O8 MolecularWeight: 499.35425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N5O8/c1-35-18(28)11-2-3-13(14(8-11)25(29)30)23-4-6-24(7-5-23)17-15(26(31)32)9-12(19(20,21)22)10-16(17)27(33)34/h2-3,8-10H,4-7H2,1H3