methyl 2-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenyl-acetate CAS Name: 2-[4-(4-nitrophenyl)-1-piperazinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylacetate Traditional Name: 2-[4-(4-nitrophenyl)piperazino]-2-phenyl-acetic acid methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-26-19(23)18(15-5-3-2-4-6-15)21-13-11-20(12-14-21)16-7-9-17(10-8-16)22(24)25/h2-10,18H,11-14H2,1H3