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

Systemtic Name: N-[(2S)-3-methyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]adamantane-1-carboxamide Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5/c1-13(2)19(21(29)26-25-20(28)17-4-3-5-18(9-17)27(31)32)24-22(30)23-10-14-6-15(11-23)8-16(7-14)12-23/h3-5,9,13-16,19H,6-8,10-12H2,1-2H3,(H,24,30)(H,25,28)(H,26,29)/t14?,15?,16?,19-,23?/m0/s1