N-(1-adamantyl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-3-methyl-4-nitro-benzamide Openeye Name: N-(1-adamantyl)-3-methyl-4-nitro-benzamide CAS Name: N-(1-adamantyl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(1-adamantyl)-3-methyl-4-nitrobenzamide Traditional Name: N-(1-adamantyl)-3-methyl-4-nitro-benzamide Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

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