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

Systemtic Name: N-[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(3-nitroanilino)ethyl]adamantane-1-carboxamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25N3O4/c1-12(18(24)22-16-3-2-4-17(8-16)23(26)27)21-19(25)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,21,25)(H,22,24)/t12-,13?,14?,15?,20?/m0/s1