N-[1-(1-adamantyl)propyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-methyl-2-nitro-benzamide CAS Name: N-[1-(1-adamantyl)propyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)propyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-methyl-2-nitro-benzamide Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-3-18(21-10-14-7-15(11-21)9-16(8-14)12-21)22-20(24)17-6-4-5-13(2)19(17)23(25)26/h4-6,14-16,18H,3,7-12H2,1-2H3,(H,22,24)