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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-13(21-10-14-6-15(11-21)8-16(7-14)12-21)22-20(25)17-4-5-18(23(2)3)19(9-17)24(26)27/h4-5,9,13-16H,6-8,10-12H2,1-3H3,(H,22,25)