N-[(2S)-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl]adamantane-1-carboxamide Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N4O5/c1-12(18(26)23-24-19(27)16-3-2-4-17(8-16)25(29)30)22-20(28)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,22,28)(H,23,26)(H,24,27)/t12-,13?,14?,15?,21?/m0/s1