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

Systemtic Name: (4-chlorophenyl)-[4-(5-ethoxy-4-methoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-chlorophenyl)-[4-(5-ethoxy-4-methoxy-2-nitro-benzoyl)piperazin-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-[(5-ethoxy-4-methoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-chlorophenyl)-[4-(5-ethoxy-4-methoxy-2-nitrobenzoyl)piperazin-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-(5-ethoxy-4-methoxy-2-nitro-benzoyl)piperazino]methanone Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O6/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