N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-12(20-9-13-5-14(10-20)7-15(6-13)11-20)22-19(24)16-3-4-17(21-2)18(8-16)23(25)26/h3-4,8,12-15,21H,5-7,9-11H2,1-2H3,(H,22,24)/t12-,13?,14?,15?,20?/m1/s1