1-[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl]cycloheptanecarboxylic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c21-14(11-17(16(23)24)8-3-1-2-4-9-17)18-19-15(22)12-6-5-7-13(10-12)20(25)26/h5-7,10H,1-4,8-9,11H2,(H,18,21)(H,19,22)(H,23,24)