N-[1-(1-adamantyl)ethyl]-2,4-dinitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2,4-dinitro-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2,4-dinitro-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2,4-dinitrobenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2,4-dinitro-benzamide Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-11(19-8-12-4-13(9-19)6-14(5-12)10-19)20-18(23)16-3-2-15(21(24)25)7-17(16)22(26)27/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,20,23)