N-[(2S)-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[2-(4-nitroanilino)ethylamino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[2-(4-nitroanilino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[2-(4-nitroanilino)ethylamino]ethyl]adamantane-1-carboxamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N4O4/c1-14(20(27)24-7-6-23-18-2-4-19(5-3-18)26(29)30)25-21(28)22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,14-17,23H,6-13H2,1H3,(H,24,27)(H,25,28)/t14-,15?,16?,17?,22?/m0/s1