ethanedioic acid; (4-nitrophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone

Systemtic Name: ethanedioic acid; (4-nitrophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone Openeye Name: (4-isopropylpiperazin-1-yl)-(4-nitrophenyl)methanone; oxalic acid CAS Name: (4-nitrophenyl)-(4-propan-2-yl-1-piperazinyl)methanone; oxalic acid IUPAC Name: (4-nitrophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone; oxalic acid Traditional Name: (4-isopropylpiperazino)-(4-nitrophenyl)methanone; oxalic acid Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3O3.C2H2O4/c1-11(2)15-7-9-16(10-8-15)14(18)12-3-5-13(6-4-12)17(19)20;3-1(4)2(5)6/h3-6,11H,7-10H2,1-2H3;(H,3,4)(H,5,6)