N-(1-adamantylmethyl)-4-(dimethylamino)-N-methyl-3-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-(dimethylamino)-N-methyl-3-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-(dimethylamino)-N-methyl-3-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-(dimethylamino)-N-methyl-3-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-(dimethylamino)-N-methyl-3-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-(dimethylamino)-N-methyl-3-nitro-benzamide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N(C)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N(C)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

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