(4-cyclopentylpiperazin-1-yl)-(4-nitrophenyl)methanone; ethanedioic acid

Systemtic Name: (4-cyclopentylpiperazin-1-yl)-(4-nitrophenyl)methanone; ethanedioic acid Openeye Name: (4-cyclopentylpiperazin-1-yl)-(4-nitrophenyl)methanone; oxalic acid CAS Name: (4-cyclopentyl-1-piperazinyl)-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: (4-cyclopentylpiperazin-1-yl)-(4-nitrophenyl)methanone; oxalic acid Traditional Name: (4-cyclopentylpiperazino)-(4-nitrophenyl)methanone; oxalic acid Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21N3O3.C2H2O4/c20-16(13-5-7-15(8-6-13)19(21)22)18-11-9-17(10-12-18)14-3-1-2-4-14;3-1(4)2(5)6/h5-8,14H,1-4,9-12H2;(H,3,4)(H,5,6)