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

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(diethylamino)-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(diethylamino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(diethylamino)-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(diethylamino)-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-(diethylamino)-2-keto-ethyl]-4-nitro-benzamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O4/c1-3-25(4-2)22(28)20(23-12-15-9-16(13-23)11-17(10-15)14-23)24-21(27)18-5-7-19(8-6-18)26(29)30/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,24,27)/t15?,16?,17?,20-,23?/m1/s1