N-(2-adamantyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-methyl-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-methyl-3-nitro-benzamide Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O3/c1-10-2-3-13(9-16(10)20(22)23)18(21)19-17-14-5-11-4-12(7-14)8-15(17)6-11/h2-3,9,11-12,14-15,17H,4-8H2,1H3,(H,19,21)