[4-(5-ethoxy-4-methoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-(4-fluorophenyl)methanone

Systemtic Name: [4-(5-ethoxy-4-methoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-(4-fluorophenyl)methanone Openeye Name: [4-(5-ethoxy-4-methoxy-2-nitro-benzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone CAS Name: [4-[(5-ethoxy-4-methoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-(4-fluorophenyl)methanone IUPAC Name: [4-(5-ethoxy-4-methoxy-2-nitrobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone Traditional Name: [4-(5-ethoxy-4-methoxy-2-nitro-benzoyl)piperazino]-(4-fluorophenyl)methanone Formula: C21H22FN3O6 MolecularWeight: 431.414283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22FN3O6/c1-3-31-19-12-16(17(25(28)29)13-18(19)30-2)21(27)24-10-8-23(9-11-24)20(26)14-4-6-15(22)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3