[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone; ethanedioic acid

Systemtic Name: [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone; ethanedioic acid Openeye Name: [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid CAS Name: [4-(1-cyclohex-3-enylmethyl)-1-piperazinyl]-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: [4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid Traditional Name: [4-(cyclohex-3-en-1-ylmethyl)piperazino]-(4-nitrophenyl)methanone; oxalic acid Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O3.C2H2O4/c22-18(16-6-8-17(9-7-16)21(23)24)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15;3-1(4)2(5)6/h1-2,6-9,15H,3-5,10-14H2;(H,3,4)(H,5,6)