[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-methoxy-4-methyl-phenoxy)ethanoate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-methoxy-4-methyl-phenoxy)ethanoate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-methoxy-4-methyl-phenoxy)acetate CAS Name: 2-(2-methoxy-4-methylphenoxy)acetic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate Traditional Name: 2-(2-methoxy-4-methyl-phenoxy)acetic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O7/c1-16-3-8-19(20(13-16)30-2)31-15-22(27)32-14-21(26)24-11-9-23(10-12-24)17-4-6-18(7-5-17)25(28)29/h3-8,13H,9-12,14-15H2,1-2H3