2-[(2,4-dinitrophenyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 2-(2,4-dinitroanilino)cyclohexanecarboxylic acid CAS Name: 2-(2,4-dinitroanilino)-1-cyclohexanecarboxylic acid IUPAC Name: 2-(2,4-dinitroanilino)cyclohexane-1-carboxylic acid Traditional Name: 2-(2,4-dinitroanilino)cyclohexanecarboxylic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(C1)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c17-13(18)9-3-1-2-4-10(9)14-11-6-5-8(15(19)20)7-12(11)16(21)22/h5-7,9-10,14H,1-4H2,(H,17,18)