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

Systemtic Name: N-(1-adamantyl)-4-(methylamino)-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-(methylamino)-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(methylamino)-3-nitro-benzamide Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-19-15-3-2-14(7-16(15)21(23)24)17(22)20-18-8-11-4-12(9-18)6-13(5-11)10-18/h2-3,7,11-13,19H,4-6,8-10H2,1H3,(H,20,22)