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

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(methylamino)ethyl]-4-nitro-benzamide Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-21-19(25)17(20-9-12-6-13(10-20)8-14(7-12)11-20)22-18(24)15-2-4-16(5-3-15)23(26)27/h2-5,12-14,17H,6-11H2,1H3,(H,21,25)(H,22,24)/t12?,13?,14?,17-,20?/m1/s1