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

Systemtic Name: methyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitro-benzoate Openeye Name: methyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitro-benzoate CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoate Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]-3,5-dinitro-benzoic acid methyl ester Formula: C19H20N4O7 MolecularWeight: 416.3847

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O7/c1-29-17-6-4-3-5-14(17)20-7-9-21(10-8-20)18-15(22(25)26)11-13(19(24)30-2)12-16(18)23(27)28/h3-6,11-12H,7-10H2,1-2H3