N-[(2S)-1-(1-adamantylmethylamino)-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(1-adamantylmethylamino)-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-2-(1-adamantylmethylamino)-1-methyl-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-(1-adamantylmethylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(1-adamantylmethylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-2-(1-adamantylmethylamino)-2-keto-1-methyl-ethyl]-4-chloro-3-nitro-benzamide Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H26ClN3O4/c1-12(24-20(27)16-2-3-17(22)18(7-16)25(28)29)19(26)23-11-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,23,26)(H,24,27)/t12-,13?,14?,15?,21?/m0/s1