1-[2-[2-(3,5-dinitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[2-(3,5-dinitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[2-(3,5-dinitrobenzoyl)hydrazino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[[(3,5-dinitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[2-(3,5-dinitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-[N'-(3,5-dinitrobenzoyl)hydrazino]-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C16H18N4O8 MolecularWeight: 394.33612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H18N4O8/c21-13(9-16(15(23)24)4-2-1-3-5-16)17-18-14(22)10-6-11(19(25)26)8-12(7-10)20(27)28/h6-8H,1-5,9H2,(H,17,21)(H,18,22)(H,23,24)