ethanedioic acid; 1-(2-methylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-methylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine Openeye Name: 1-[(E)-3-(2-nitrophenyl)allyl]-4-(o-tolyl)piperazine; oxalic acid CAS Name: 1-(2-methylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine; oxalic acid IUPAC Name: 1-(2-methylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine; oxalic acid Traditional Name: 1-[(E)-3-(2-nitrophenyl)allyl]-4-(o-tolyl)piperazine; oxalic acid Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC=CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C/C=C/C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O2.C2H2O4/c1-17-7-2-4-10-19(17)22-15-13-21(14-16-22)12-6-9-18-8-3-5-11-20(18)23(24)25;3-1(4)2(5)6/h2-11H,12-16H2,1H3;(H,3,4)(H,5,6)/b9-6+;