ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid CAS Name: [4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid Traditional Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-(4-nitrophenyl)methanone; oxalic acid Formula: C28H28N4O7 MolecularWeight: 532.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H26N4O3.C2H2O4/c1-2-29-24-6-4-3-5-22(24)23-17-19(7-12-25(23)29)18-27-13-15-28(16-14-27)26(31)20-8-10-21(11-9-20)30(32)33;3-1(4)2(5)6/h3-12,17H,2,13-16,18H2,1H3;(H,3,4)(H,5,6)