O1-methyl O4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester O1-methyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c1-30-20(26)15-2-4-16(5-3-15)21(27)31-14-19(25)23-12-10-22(11-13-23)17-6-8-18(9-7-17)24(28)29/h2-9H,10-14H2,1H3