[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)OCC(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c25-18(22-23-20(27)16-2-1-3-17(7-16)24(28)29)12-30-19(26)11-21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15H,4-6,8-12H2,(H,22,25)(H,23,27)