N-[(1S)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]-4-nitro-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-morpholino-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(4-morpholinyl)-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-morpholino-ethyl]-4-nitro-benzamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)[C@H](C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5/c27-21(18-1-3-19(4-2-18)26(29)30)24-20(22(28)25-5-7-31-8-6-25)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17,20H,5-14H2,(H,24,27)/t15?,16?,17?,20-,23?/m1/s1