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

Systemtic Name: 1-[2-[2-(3,5-dinitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[2-(3,5-dinitrobenzoyl)hydrazino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[[(3,5-dinitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[2-(3,5-dinitrobenzoyl)hydrazinyl]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[N'-(3,5-dinitrobenzoyl)hydrazino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C17H20N4O8 MolecularWeight: 408.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H20N4O8/c22-14(10-17(16(24)25)5-3-1-2-4-6-17)18-19-15(23)11-7-12(20(26)27)9-13(8-11)21(28)29/h7-9H,1-6,10H2,(H,18,22)(H,19,23)(H,24,25)