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ethanedioic acid; 2-methyl-4-nitro-N-(4-phenylcyclohexyl)aniline

ethanedioic acid; 2-methyl-4-nitro-N-(4-phenylcyclohexyl)aniline

Systemtic Name:ethanedioic acid; 2-methyl-4-nitro-N-(4-phenylcyclohexyl)aniline
Openeye Name:2-methyl-4-nitro-N-(4-phenylcyclohexyl)aniline; oxalic acid
CAS Name:2-methyl-4-nitro-N-(4-phenylcyclohexyl)aniline; oxalic acid
IUPAC Name:2-methyl-4-nitro-N-(4-phenylcyclohexyl)aniline; oxalic acid
Traditional Name:(2-methyl-4-nitro-phenyl)-(4-phenylcyclohexyl)amine; oxalic acid
Formula: C21H24N2O6
MolecularWeight: 400.42506
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2CCC(CC2)C3=CC=CC=C3.C(=O)(C(=O)O)O


Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2CCC(CC2)C3=CC=CC=C3.C(=O)(C(=O)O)O


InChI

InChI=1S/C19H22N2O2.C2H2O4/c1-14-13-18(21(22)23)11-12-19(14)20-17-9-7-16(8-10-17)15-5-3-2-4-6-15;3-1(4)2(5)6/h2-6,11-13,16-17,20H,7-10H2,1H3;(H,3,4)(H,5,6)


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