[4-(4-nitrophenyl)piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-(2,3,4-trimethoxyphenyl)methanone Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H23N3O6/c1-27-17-9-8-16(18(28-2)19(17)29-3)20(24)22-12-10-21(11-13-22)14-4-6-15(7-5-14)23(25)26/h4-9H,10-13H2,1-3H3