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

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(dimethylamino)-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(dimethylamino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(dimethylamino)-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(dimethylamino)-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-(dimethylamino)-2-keto-ethyl]-4-nitro-benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-23(2)20(26)18(21-10-13-7-14(11-21)9-15(8-13)12-21)22-19(25)16-3-5-17(6-4-16)24(27)28/h3-6,13-15,18H,7-12H2,1-2H3,(H,22,25)/t13?,14?,15?,18-,21?/m1/s1