ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone; oxalic acid IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone; oxalic acid Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(4-nitrophenyl)methanone; oxalic acid Formula: C23H27N3O9 MolecularWeight: 489.47518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25N3O5.C2H2O4/c1-3-29-20-14-16(4-9-19(20)28-2)15-22-10-12-23(13-11-22)21(25)17-5-7-18(8-6-17)24(26)27;3-1(4)2(5)6/h4-9,14H,3,10-13,15H2,1-2H3;(H,3,4)(H,5,6)