ethanedioic acid; [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: ethanedioic acid; [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid CAS Name: [4-(4-methylcyclohexyl)-1-piperazinyl]-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: [4-(4-methylcyclohexyl)piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid Traditional Name: [4-(4-methylcyclohexyl)piperazino]-(4-nitrophenyl)methanone; oxalic acid Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3O3.C2H2O4/c1-14-2-6-16(7-3-14)19-10-12-20(13-11-19)18(22)15-4-8-17(9-5-15)21(23)24;3-1(4)2(5)6/h4-5,8-9,14,16H,2-3,6-7,10-13H2,1H3;(H,3,4)(H,5,6)