ethanedioic acid; 2-methoxy-N-(3-methylcyclohexyl)-5-nitro-aniline

Systemtic Name: ethanedioic acid; 2-methoxy-N-(3-methylcyclohexyl)-5-nitro-aniline Openeye Name: 2-methoxy-N-(3-methylcyclohexyl)-5-nitro-aniline; oxalic acid CAS Name: 2-methoxy-N-(3-methylcyclohexyl)-5-nitroaniline; oxalic acid IUPAC Name: 2-methoxy-N-(3-methylcyclohexyl)-5-nitroaniline; oxalic acid Traditional Name: (2-methoxy-5-nitro-phenyl)-(3-methylcyclohexyl)amine; oxalic acid Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NC2=C(C=CC(=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)NC2=C(C=CC(=C2)[N+](=O)[O-])OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O3.C2H2O4/c1-10-4-3-5-11(8-10)15-13-9-12(16(17)18)6-7-14(13)19-2;3-1(4)2(5)6/h6-7,9-11,15H,3-5,8H2,1-2H3;(H,3,4)(H,5,6)